CID 91667073

14-azido-tetradecanoic acid

Structural Information

Molecular Formula
C14H27N3O2
SMILES
C(CCCCCCC(=O)O)CCCCCCN=[N+]=[N-]
InChI
InChI=1S/C14H27N3O2/c15-17-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14(18)19/h1-13H2,(H,18,19)
InChIKey
BDKKINJEPJYWSL-UHFFFAOYSA-N
Compound name
14-azidotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.21033 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.21761 169.4
[M+Na]+ 292.19955 171.7
[M-H]- 268.20305 169.4
[M+NH4]+ 287.24415 185.1
[M+K]+ 308.17349 165.0
[M+H-H2O]+ 252.20759 166.6
[M+HCOO]- 314.20853 195.5
[M+CH3COO]- 328.22418 202.6
[M+Na-2H]- 290.18500 173.8
[M]+ 269.20978 171.1
[M]- 269.21088 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe