CID 11040949

6-azidohexanoic acid

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

C(CCC(=O)O)CCN=[N+]=[N-]

InChI

InChI=1S/C6H11N3O2/c7-9-8-5-3-1-2-4-6(10)11/h1-5H2,(H,10,11)

InChIKey

JCORXJUUSVCJEP-UHFFFAOYSA-N

Compound name

6-azidohexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 735
Patents: 157.08513 Da
Monoisotopic Mass: 1.7
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]+	158.092406	132.0
[M+Na]+	180.074348	137.7
[M-H]-	156.077854	133.5
[M+NH4]+	175.118953	152.2
[M+K]+	196.048288	133.1
[M+H-H2O]+	140.082390	130.8
[M+HCOO]-	202.083331	160.9
[M+CH3COO]-	216.098981	178.0
[M+Na-2H]-	178.059796	140.7
[M]+	157.08458142	130.8
[M]-	157.08567858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe