CID 77941

Einecs 263-312-8

Structural Information

Molecular Formula
C19H36N2O3
SMILES
CCCCCCCCCCCC1=NCCN1CCOCCC(=O)O
InChI
InChI=1S/C19H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-18-20-13-14-21(18)15-17-24-16-12-19(22)23/h2-17H2,1H3,(H,22,23)
InChIKey
OURQEILTTSQHJV-UHFFFAOYSA-N
Compound name
3-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

340.27258 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.27986 189.5
[M+Na]+ 363.26180 191.6
[M-H]- 339.26530 186.7
[M+NH4]+ 358.30640 201.2
[M+K]+ 379.23574 188.1
[M+H-H2O]+ 323.26984 180.3
[M+HCOO]- 385.27078 205.6
[M+CH3COO]- 399.28643 211.4
[M+Na-2H]- 361.24725 186.7
[M]+ 340.27203 194.7
[M]- 340.27313 194.7
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