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

95
Patents

113.058914 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 120.9
[M+Na]+ 136.048132 129.4
[M-H]- 112.051638 117.8
[M+NH4]+ 131.092737 139.8
[M+K]+ 152.022072 127.6
[M+H-H2O]+ 96.056174 113.7
[M+HCOO]- 158.057115 141.0
[M+CH3COO]- 172.072765 161.4
[M+Na-2H]- 134.033580 128.1
[M]+ 113.05836542 118.8
[M]- 113.05946258 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