CID 116884

70776-59-9

Structural Information

Molecular Formula
C15H29N2O3
SMILES
CCCCCCCC1=[N+](CCN1CCC(=O)O)CCO
InChI
InChI=1S/C15H28N2O3/c1-2-3-4-5-6-7-14-16(9-8-15(19)20)10-11-17(14)12-13-18/h18H,2-13H2,1H3/p+1
InChIKey
FEPOPCWFPPLVFP-UHFFFAOYSA-O
Compound name
3-[2-heptyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2178 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.22508 173.1
[M+Na]+ 308.20702 177.5
[M-H]- 284.21052 170.6
[M+NH4]+ 303.25162 186.6
[M+K]+ 324.18096 168.6
[M+H-H2O]+ 268.21506 168.2
[M+HCOO]- 330.21600 188.9
[M+CH3COO]- 344.23165 191.2
[M+Na-2H]- 306.19247 173.9
[M]+ 285.21725 174.0
[M]- 285.21835 174.0
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.