CID 181844

2-(4h-1,2,4-triazol-4-yl)ethanol

Structural Information

Molecular Formula
C4H7N3O
SMILES
C1=NN=CN1CCO
InChI
InChI=1S/C4H7N3O/c8-2-1-7-3-5-6-4-7/h3-4,8H,1-2H2
InChIKey
YOSYLAYVXLOORB-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

113.058914 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 120.0
[M+Na]+ 136.048132 129.0
[M-H]- 112.051638 118.3
[M+NH4]+ 131.092737 139.7
[M+K]+ 152.022072 128.1
[M+H-H2O]+ 96.056174 112.6
[M+HCOO]- 158.057115 141.6
[M+CH3COO]- 172.072765 164.0
[M+Na-2H]- 134.033580 127.7
[M]+ 113.05836542 119.8
[M]- 113.05946258 119.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe