CID 117679806

1637277-27-0

Structural Information

Molecular Formula

C₇H₁₄N₄

SMILES

C1CC(CCC1CN=[N+]=[N-])N

InChI

InChI=1S/C7H14N4/c8-7-3-1-6(2-4-7)5-10-11-9/h6-7H,1-5,8H2

InChIKey

ULEKLGWVNKDOTE-UHFFFAOYSA-N

Compound name

4-(azidomethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 154.12184 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]+	155.129116	130.0
[M+Na]+	177.111058	134.0
[M-H]-	153.114564	135.0
[M+NH4]+	172.155663	150.4
[M+K]+	193.084998	128.8
[M+H-H2O]+	137.119100	127.9
[M+HCOO]-	199.120041	158.1
[M+CH3COO]-	213.135691	181.6
[M+Na-2H]-	175.096506	138.4
[M]+	154.12129142	121.7
[M]-	154.12238858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe