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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 127.6
[M+Na]+ 161.07977 135.4
[M-H]- 137.08327 126.1
[M+NH4]+ 156.12437 146.9
[M+K]+ 177.05371 132.4
[M+H-H2O]+ 121.08781 120.0
[M+HCOO]- 183.08875 145.9
[M+CH3COO]- 197.10440 139.7
[M+Na-2H]- 159.06522 134.1
[M]+ 138.09000 121.6
[M]- 138.09110 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.