CID 21258657

1-cyclohexyl-1h-1,2,3-triazole

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

C1CCC(CC1)N2C=CN=N2

InChI

InChI=1S/C8H13N3/c1-2-4-8(5-3-1)11-7-6-9-10-11/h6-8H,1-5H2

InChIKey

RMPJCYYKYLMUSA-UHFFFAOYSA-N

Compound name

1-cyclohexyltriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 151.11095 Da
Monoisotopic Mass: 1.4
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]+	152.11823	133.7
[M+Na]+	174.10017	145.4
[M+NH4]+	169.14477	142.3
[M+K]+	190.07411	140.6
[M-H]-	150.10367	135.8
[M+Na-2H]-	172.08562	140.9
[M]+	151.11040	135.7
[M]-	151.11150	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe