CID 23547289

Schembl5688432

Structural Information

Molecular Formula
C19H37N2O3
SMILES
CCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
InChI
InChI=1S/C19H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-20-13-14-21(18,15-16-22)17-19(23)24/h22H,2-17H2,1H3/p+1
InChIKey
VNUREHWOFQRPGE-UHFFFAOYSA-O
Compound name
2-[2-dodecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

341.28043 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.287706 187.3
[M+Na]+ 364.269648 189.9
[M-H]- 340.273154 183.9
[M+NH4]+ 359.314253 200.5
[M+K]+ 380.243588 180.1
[M+H-H2O]+ 324.277690 182.5
[M+HCOO]- 386.278631 201.6
[M+CH3COO]- 400.294281 201.4
[M+Na-2H]- 362.255096 188.2
[M]+ 341.27988142 189.2
[M]- 341.28097858 189.2
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

patents stripe