CID 68540915

82132-01-2

Structural Information

Molecular Formula
C7H7N3O
SMILES
CN1C2=C(C=C(C=C2)O)N=N1
InChI
InChI=1S/C7H7N3O/c1-10-7-3-2-5(11)4-6(7)8-9-10/h2-4,11H,1H3
InChIKey
OHOWSZQUEFZDHM-UHFFFAOYSA-N
Compound name
1-methylbenzotriazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

149.05891 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 127.0
[M+Na]+ 172.048128 139.3
[M-H]- 148.051634 127.5
[M+NH4]+ 167.092733 147.1
[M+K]+ 188.022068 136.2
[M+H-H2O]+ 132.056170 120.1
[M+HCOO]- 194.057111 149.2
[M+CH3COO]- 208.072761 141.5
[M+Na-2H]- 170.033576 135.9
[M]+ 149.05836142 129.2
[M]- 149.05945858 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

No literature data available for this compound.

Patent stripe

patents stripe