CID 44147205

70776-33-9

Structural Information

Molecular Formula
C14H25N2O5
SMILES
CCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O
InChI
InChI=1S/C14H24N2O5/c1-2-3-4-5-12-15-6-7-16(12,10-13(17)18)8-9-21-11-14(19)20/h2-11H2,1H3,(H-,17,18,19,20)/p+1
InChIKey
ZAZRHRKWYMWYHF-UHFFFAOYSA-O
Compound name
2-[1-[2-(carboxymethoxy)ethyl]-2-pentyl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.17636 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18364 169.4
[M+Na]+ 324.16558 173.9
[M-H]- 300.16908 167.0
[M+NH4]+ 319.21018 183.8
[M+K]+ 340.13952 166.2
[M+H-H2O]+ 284.17362 165.5
[M+HCOO]- 346.17456 184.9
[M+CH3COO]- 360.19021 190.4
[M+Na-2H]- 322.15103 172.1
[M]+ 301.17581 170.9
[M]- 301.17691 170.9
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.