CID 3019802

4-methyl-2-undecyl-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula
C16H28N2O2
SMILES
CCCCCCCCCCCC1=NC(=C(N1)C)C(=O)O
InChI
InChI=1S/C16H28N2O2/c1-3-4-5-6-7-8-9-10-11-12-14-17-13(2)15(18-14)16(19)20/h3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKey
NHZIYMXVHIPXJY-UHFFFAOYSA-N
Compound name
5-methyl-2-undecyl-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.2151 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.222376 172.4
[M+Na]+ 303.204318 177.6
[M-H]- 279.207824 169.7
[M+NH4]+ 298.248923 186.4
[M+K]+ 319.178258 173.1
[M+H-H2O]+ 263.212360 164.6
[M+HCOO]- 325.213301 189.3
[M+CH3COO]- 339.228951 198.8
[M+Na-2H]- 301.189766 170.8
[M]+ 280.21455142 175.0
[M]- 280.21564858 175.0
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

patents stripe