CID 454103

12-imidazolyldodecanoic acid

Structural Information

Molecular Formula
C15H26N2O2
SMILES
C1=CN=C(N1)CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C15H26N2O2/c18-15(19)11-9-7-5-3-1-2-4-6-8-10-14-16-12-13-17-14/h12-13H,1-11H2,(H,16,17)(H,18,19)
InChIKey
BLVRQRHDMLAEEE-UHFFFAOYSA-N
Compound name
12-(1H-imidazol-2-yl)dodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

266.19943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.20671 168.2
[M+Na]+ 289.18865 171.9
[M-H]- 265.19215 164.8
[M+NH4]+ 284.23325 182.1
[M+K]+ 305.16259 167.7
[M+H-H2O]+ 249.19669 159.8
[M+HCOO]- 311.19763 185.5
[M+CH3COO]- 325.21328 193.5
[M+Na-2H]- 287.17410 168.6
[M]+ 266.19888 169.7
[M]- 266.19998 169.7
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

No patent data available for this compound.