CID 84048573

1781899-23-7

Structural Information

Molecular Formula
C7H12N4
SMILES
CN1C2=C(CC(CC2)N)N=N1
InChI
InChI=1S/C7H12N4/c1-11-7-3-2-5(8)4-6(7)9-10-11/h5H,2-4,8H2,1H3
InChIKey
URSHNSSBVLGWNY-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.