CID 15122285

137434-61-8

Structural Information

Molecular Formula
C7H8N4
SMILES
CC1=C(C2=NNN=C2C=C1)N
InChI
InChI=1S/C7H8N4/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3,(H,9,10,11)
InChIKey
PSSNUWSDXCWZDV-UHFFFAOYSA-N
Compound name
5-methyl-2H-benzotriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

148.07489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 128.0
[M+Na]+ 171.064108 139.6
[M-H]- 147.067614 128.0
[M+NH4]+ 166.108713 147.6
[M+K]+ 187.038048 135.5
[M+H-H2O]+ 131.072150 120.9
[M+HCOO]- 193.073091 150.4
[M+CH3COO]- 207.088741 141.8
[M+Na-2H]- 169.049556 136.4
[M]+ 148.07434142 127.1
[M]- 148.07543858 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe