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

2048
Patents

149.05891 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 126.7
[M+Na]+ 172.048128 138.1
[M-H]- 148.051634 126.8
[M+NH4]+ 167.092733 146.5
[M+K]+ 188.022068 135.0
[M+H-H2O]+ 132.056170 119.4
[M+HCOO]- 194.057111 148.9
[M+CH3COO]- 208.072761 140.8
[M+Na-2H]- 170.033576 136.3
[M]+ 149.05836142 128.5
[M]- 149.05945858 128.5
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