CID 19392414

2-(1h-1,2,3-triazol-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C4H7N3O
SMILES
C1=NNN=C1CCO
InChI
InChI=1S/C4H7N3O/c8-2-1-4-3-5-7-6-4/h3,8H,1-2H2,(H,5,6,7)
InChIKey
HJEVQOSZWIDFQJ-UHFFFAOYSA-N
Compound name
2-(2H-triazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

643
Patents

113.058914 Da
Monoisotopic Mass

-0.8
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

literature stripe

Patent stripe

patents stripe