CID 6412338

1h-1,2,3-benzotriazol-5-ylmethanol

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC2=NNN=C2C=C1CO
InChI
InChI=1S/C7H7N3O/c11-4-5-1-2-6-7(3-5)9-10-8-6/h1-3,11H,4H2,(H,8,9,10)
InChIKey
UWJOSAIHEQFOID-UHFFFAOYSA-N
Compound name
2H-benzotriazol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

29
Patents

149.05891 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 127.3
[M+Na]+ 172.048128 138.2
[M-H]- 148.051634 126.0
[M+NH4]+ 167.092733 146.3
[M+K]+ 188.022068 134.3
[M+H-H2O]+ 132.056170 120.3
[M+HCOO]- 194.057111 148.0
[M+CH3COO]- 208.072761 140.7
[M+Na-2H]- 170.033576 136.5
[M]+ 149.05836142 127.2
[M]- 149.05945858 127.2
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