CID 22099238

1183178-48-4

Structural Information

Molecular Formula
C4H7N3O
SMILES
CC1=NC(=NN1)CO
InChI
InChI=1S/C4H7N3O/c1-3-5-4(2-8)7-6-3/h8H,2H2,1H3,(H,5,6,7)
InChIKey
BMTFHVKZYIOHBE-UHFFFAOYSA-N
Compound name
(5-methyl-1H-1,2,4-triazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

113.058914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 121.0
[M+Na]+ 136.04813 130.6
[M-H]- 112.05164 118.4
[M+NH4]+ 131.09274 140.3
[M+K]+ 152.02207 128.6
[M+H-H2O]+ 96.056174 114.2
[M+HCOO]- 158.05712 141.1
[M+CH3COO]- 172.07276 162.5
[M+Na-2H]- 134.03358 127.5
[M]+ 113.05837 119.3
[M]- 113.05946 119.3
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