CID 82418437

2247102-48-1

Structural Information

Molecular Formula

C₆H₁₀N₄

SMILES

C1CC2=NNN=C2CC1N

InChI

InChI=1S/C6H10N4/c7-4-1-2-5-6(3-4)9-10-8-5/h4H,1-3,7H2,(H,8,9,10)

InChIKey

JUCFMYMHMYJBMF-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-2H-benzotriazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.09055 Da
Monoisotopic Mass: -0.6
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]+	139.097826	127.6
[M+Na]+	161.079768	135.4
[M-H]-	137.083274	126.1
[M+NH4]+	156.124373	146.9
[M+K]+	177.053708	132.4
[M+H-H2O]+	121.087810	120.0
[M+HCOO]-	183.088751	145.9
[M+CH3COO]-	197.104401	139.7
[M+Na-2H]-	159.065216	134.1
[M]+	138.09000142	121.6
[M]-	138.09109858	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.