CID 5276267

1-(1-hydroxytriazol-4-yl)ethanone

Structural Information

Molecular Formula
C4H5N3O2
SMILES
CC(=O)C1=CN(N=N1)O
InChI
InChI=1S/C4H5N3O2/c1-3(8)4-2-7(9)6-5-4/h2,9H,1H3
InChIKey
NMJXDNOABABGCU-UHFFFAOYSA-N
Compound name
1-(1-hydroxytriazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

127.03818 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.045456 121.9
[M+Na]+ 150.027398 131.9
[M-H]- 126.030904 120.9
[M+NH4]+ 145.072003 141.2
[M+K]+ 166.001338 131.2
[M+H-H2O]+ 110.035440 115.0
[M+HCOO]- 172.036381 143.1
[M+CH3COO]- 186.052031 167.1
[M+Na-2H]- 148.012846 127.8
[M]+ 127.03763142 122.3
[M]- 127.03872858 122.3
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

No patent data available for this compound.