CID 226197

1-methyl-1h-1,2,3-benzotriazol-5-amine

Structural Information

Molecular Formula
C7H8N4
SMILES
CN1C2=C(C=C(C=C2)N)N=N1
InChI
InChI=1S/C7H8N4/c1-11-7-3-2-5(8)4-6(7)9-10-11/h2-4H,8H2,1H3
InChIKey
QSESSKWYDOHYAW-UHFFFAOYSA-N
Compound name
1-methylbenzotriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

148.07489 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 127.5
[M+Na]+ 171.064108 139.4
[M-H]- 147.067614 128.8
[M+NH4]+ 166.108713 147.8
[M+K]+ 187.038048 136.2
[M+H-H2O]+ 131.072150 120.0
[M+HCOO]- 193.073091 151.4
[M+CH3COO]- 207.088741 142.0
[M+Na-2H]- 169.049556 136.3
[M]+ 148.07434142 128.4
[M]- 148.07543858 128.4
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

patents stripe