CID 3019800

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

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CCCCCCCCCCCC1=NC=C(N1)C(=O)O
InChI
InChI=1S/C15H26N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(17-14)15(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKey
DIDXGZDIJOYLCZ-UHFFFAOYSA-N
Compound name
2-undecyl-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.19943 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.206706 168.1
[M+Na]+ 289.188648 172.8
[M-H]- 265.192154 165.2
[M+NH4]+ 284.233253 182.4
[M+K]+ 305.162588 168.6
[M+H-H2O]+ 249.196690 160.2
[M+HCOO]- 311.197631 185.4
[M+CH3COO]- 325.213281 194.7
[M+Na-2H]- 287.174096 167.8
[M]+ 266.19888142 170.0
[M]- 266.19997858 170.0
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