CID 21187528

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

Structural Information

Molecular Formula
C4H7N3O
SMILES
CC(C1=NC=NN1)O
InChI
InChI=1S/C4H7N3O/c1-3(8)4-5-2-6-7-4/h2-3,8H,1H3,(H,5,6,7)
InChIKey
WYZRLXYOIMXEBO-UHFFFAOYSA-N
Compound name
1-(1H-1,2,4-triazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

113.058914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 121.4
[M+Na]+ 136.048132 129.8
[M-H]- 112.051638 118.6
[M+NH4]+ 131.092737 140.3
[M+K]+ 152.022072 128.3
[M+H-H2O]+ 96.056174 114.4
[M+HCOO]- 158.057115 140.6
[M+CH3COO]- 172.072765 162.3
[M+Na-2H]- 134.033580 127.5
[M]+ 113.05836542 118.7
[M]- 113.05946258 118.7
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