CID 224169

1h-benzotriazole-1-methanol

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC=C2C(=C1)N=NN2CO
InChI
InChI=1S/C7H7N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-4,11H,5H2
InChIKey
MXJIHEXYGRXHGP-UHFFFAOYSA-N
Compound name
benzotriazol-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2246
Patents

149.05891 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 127.2
[M+Na]+ 172.04813 141.1
[M+NH4]+ 167.09273 135.4
[M+K]+ 188.02207 136.9
[M-H]- 148.05163 127.5
[M+Na-2H]- 170.03358 134.3
[M]+ 149.05836 129.2
[M]- 149.05946 129.2
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