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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.21761	167.6
[M+Na]+	292.19955	175.3
[M+NH4]+	287.24415	173.3
[M+K]+	308.17349	170.1
[M-H]-	268.20305	168.9
[M+Na-2H]-	290.18500	169.2
[M]+	269.20978	168.5
[M]-	269.21088	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe