CID 11073377

(1-methyl-1h-1,2,4-triazol-5-yl)methanol hydrochloride

Structural Information

Molecular Formula
C4H7N3O
SMILES
CN1C(=NC=N1)CO
InChI
InChI=1S/C4H7N3O/c1-7-4(2-8)5-3-6-7/h3,8H,2H2,1H3
InChIKey
QUAQZVSGXQVIEP-UHFFFAOYSA-N
Compound name
(2-methyl-1,2,4-triazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

113.058914 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 120.0
[M+Na]+ 136.04813 130.0
[M-H]- 112.05164 118.7
[M+NH4]+ 131.09274 140.0
[M+K]+ 152.02207 129.0
[M+H-H2O]+ 96.056174 113.0
[M+HCOO]- 158.05712 141.6
[M+CH3COO]- 172.07276 165.1
[M+Na-2H]- 134.03358 127.0
[M]+ 113.05837 120.2
[M]- 113.05946 120.2
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