CID 25902

1-methylbenzotriazole

Structural Information

Molecular Formula
C7H7N3
SMILES
CN1C2=CC=CC=C2N=N1
InChI
InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
InChIKey
HXQHRUJXQJEGER-UHFFFAOYSA-N
Compound name
1-methylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

8556
Patents

133.064 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 123.0
[M+Na]+ 156.05322 134.9
[M-H]- 132.05672 124.4
[M+NH4]+ 151.09782 144.2
[M+K]+ 172.02716 132.2
[M+H-H2O]+ 116.06126 115.6
[M+HCOO]- 178.06220 146.4
[M+CH3COO]- 192.07785 137.9
[M+Na-2H]- 154.03867 133.1
[M]+ 133.06345 125.2
[M]- 133.06455 125.2
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