CID 54548454

1555803-74-1

Structural Information

Molecular Formula
C7H8N4
SMILES
C1=CC2=NNN=C2C(=C1)CN
InChI
InChI=1S/C7H8N4/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2,(H,9,10,11)
InChIKey
ZIFJZWXEACSTMH-UHFFFAOYSA-N
Compound name
2H-benzotriazol-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

148.07489 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 127.2
[M+Na]+ 171.064108 137.8
[M-H]- 147.067614 126.8
[M+NH4]+ 166.108713 146.5
[M+K]+ 187.038048 133.8
[M+H-H2O]+ 131.072150 119.8
[M+HCOO]- 193.073091 149.7
[M+CH3COO]- 207.088741 140.7
[M+Na-2H]- 169.049556 136.4
[M]+ 148.07434142 125.9
[M]- 148.07543858 125.9
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