CID 111505

1h-imidazolium, 1-(carboxymethyl)-4,5-dihydro-1(or 3)-(2-hydroxyethyl)-2-tridecyl-, hydroxide, sodium salt (1:1:1)

Structural Information

Molecular Formula
C20H39N2O3
SMILES
CCCCCCCCCCCCCC1=[N+](CCN1CCO)CC(=O)O
InChI
InChI=1S/C20H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-21(16-17-23)14-15-22(19)18-20(24)25/h23H,2-18H2,1H3/p+1
InChIKey
RZTZIOCCSULGIY-UHFFFAOYSA-O
Compound name
2-[3-(2-hydroxyethyl)-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

355.29608 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.30336 195.5
[M+Na]+ 378.28530 197.7
[M-H]- 354.28880 192.0
[M+NH4]+ 373.32990 206.1
[M+K]+ 394.25924 187.6
[M+H-H2O]+ 338.29334 189.6
[M+HCOO]- 400.29428 209.5
[M+CH3COO]- 414.30993 206.1
[M+Na-2H]- 376.27075 193.8
[M]+ 355.29553 198.2
[M]- 355.29663 198.2
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.