CID 14990574

(1-methyl-1h-1,2,3-benzotriazol-4-yl)methanol hydrochloride

Structural Information

Molecular Formula
C8H9N3O
SMILES
CN1C2=CC=CC(=C2N=N1)CO
InChI
InChI=1S/C8H9N3O/c1-11-7-4-2-3-6(5-12)8(7)9-10-11/h2-4,12H,5H2,1H3
InChIKey
FUWSKXLTAJOBRD-UHFFFAOYSA-N
Compound name
(1-methylbenzotriazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 131.7
[M+Na]+ 186.063768 143.5
[M-H]- 162.067274 132.0
[M+NH4]+ 181.108373 151.2
[M+K]+ 202.037708 140.2
[M+H-H2O]+ 146.071810 124.5
[M+HCOO]- 208.072751 153.5
[M+CH3COO]- 222.088401 145.7
[M+Na-2H]- 184.049216 140.0
[M]+ 163.07400142 134.2
[M]- 163.07509858 134.2
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

No patent data available for this compound.