CID 108634

1h-imidazolium, 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-4,5-dihydro-2-nonyl-, hydroxide, disodium salt

Structural Information

Molecular Formula
C18H33N2O5
SMILES
CCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O
InChI
InChI=1S/C18H32N2O5/c1-2-3-4-5-6-7-8-9-16-19-10-11-20(16,14-17(21)22)12-13-25-15-18(23)24/h2-15H2,1H3,(H-,21,22,23,24)/p+1
InChIKey
VUYDMYHAGAUEIF-UHFFFAOYSA-O
Compound name
2-[1-[2-(carboxymethoxy)ethyl]-2-nonyl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.23895 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.24623 187.1
[M+Na]+ 380.22817 189.9
[M-H]- 356.23167 184.0
[M+NH4]+ 375.27277 199.2
[M+K]+ 396.20211 181.4
[M+H-H2O]+ 340.23621 182.6
[M+HCOO]- 402.23715 201.4
[M+CH3COO]- 416.25280 202.2
[M+Na-2H]- 378.21362 187.9
[M]+ 357.23840 190.1
[M]- 357.23950 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.