CID 84370

14350-94-8

Structural Information

Molecular Formula
C16H31N2O3
SMILES
CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
InChI
InChI=1S/C16H30N2O3/c1-2-3-4-5-6-7-8-9-15-17-10-11-18(15,12-13-19)14-16(20)21/h19H,2-14H2,1H3/p+1
InChIKey
AGBLGIGWXYIHIW-UHFFFAOYSA-O
Compound name
2-[1-(2-hydroxyethyl)-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

299.23346 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.24074 174.1
[M+Na]+ 322.22268 178.1
[M-H]- 298.22618 171.3
[M+NH4]+ 317.26728 189.0
[M+K]+ 338.19662 168.9
[M+H-H2O]+ 282.23072 169.9
[M+HCOO]- 344.23166 189.5
[M+CH3COO]- 358.24731 192.5
[M+Na-2H]- 320.20813 176.5
[M]+ 299.23291 174.9
[M]- 299.23401 174.9
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

patents stripe