CID 82417064

1487952-37-3

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

CN1C2=C(CCC(C2)N)N=N1

InChI

InChI=1S/C7H12N4/c1-11-7-4-5(8)2-3-6(7)9-10-11/h5H,2-4,8H2,1H3

InChIKey

KNGLSUWCXOCEKZ-UHFFFAOYSA-N

Compound name

3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 152.1062 Da
Monoisotopic Mass: -0.5
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]+	153.11348	131.4
[M+Na]+	175.09542	142.4
[M+NH4]+	170.14002	139.6
[M+K]+	191.06936	138.7
[M-H]-	151.09892	132.3
[M+Na-2H]-	173.08087	135.9
[M]+	152.10565	132.9
[M]-	152.10675	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe