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

155
Patents

148.07489 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 127.5
[M+Na]+ 171.06411 139.4
[M-H]- 147.06761 128.8
[M+NH4]+ 166.10871 147.8
[M+K]+ 187.03805 136.2
[M+H-H2O]+ 131.07215 120.0
[M+HCOO]- 193.07309 151.4
[M+CH3COO]- 207.08874 142.0
[M+Na-2H]- 169.04956 136.3
[M]+ 148.07434 128.4
[M]- 148.07544 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