CID 23154170

863222-21-3

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

C1CC(CCC1C(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C7H11N3O2/c8-10-9-6-3-1-5(2-4-6)7(11)12/h5-6H,1-4H2,(H,11,12)

InChIKey

APIATWTVGOEUSS-UHFFFAOYSA-N

Compound name

4-azidocyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 169.08513 Da
Monoisotopic Mass: 1.9
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]+	170.09241	133.0
[M+Na]+	192.07435	137.2
[M-H]-	168.07785	137.2
[M+NH4]+	187.11895	152.4
[M+K]+	208.04829	132.2
[M+H-H2O]+	152.08239	131.3
[M+HCOO]-	214.08333	158.8
[M+CH3COO]-	228.09898	178.4
[M+Na-2H]-	190.05980	140.4
[M]+	169.08458	125.9
[M]-	169.08568	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe