CID 22140765

2613388-66-0

Structural Information

Molecular Formula
C4H7N3O
SMILES
C1=NNC(=N1)CCO
InChI
InChI=1S/C4H7N3O/c8-2-1-4-5-3-6-7-4/h3,8H,1-2H2,(H,5,6,7)
InChIKey
KNIARYZRPMJYFH-UHFFFAOYSA-N
Compound name
2-(1H-1,2,4-triazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

113.058914 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 121.1
[M+Na]+ 136.04813 131.7
[M+NH4]+ 131.09274 128.0
[M+K]+ 152.02207 129.0
[M-H]- 112.05164 119.5
[M+Na-2H]- 134.03358 126.1
[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