CID 22099238

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

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

76
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 121.1
[M+Na]+ 136.04813 132.0
[M+NH4]+ 131.09274 127.9
[M+K]+ 152.02207 129.5
[M-H]- 112.05164 119.5
[M+Na-2H]- 134.03358 125.8
[M]+ 113.05837 121.8
[M]- 113.05946 121.8
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