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

43
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 120.9
[M+Na]+ 136.04813 129.4
[M-H]- 112.05164 117.8
[M+NH4]+ 131.09274 139.8
[M+K]+ 152.02207 127.6
[M+H-H2O]+ 96.056174 113.7
[M+HCOO]- 158.05712 141.0
[M+CH3COO]- 172.07276 161.4
[M+Na-2H]- 134.03358 128.1
[M]+ 113.05837 118.8
[M]- 113.05946 118.8
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