CID 14978338

153334-25-9

Structural Information

Molecular Formula
C6H9N3O
SMILES
CCN1C(=NC=N1)C(=O)C
InChI
InChI=1S/C6H9N3O/c1-3-9-6(5(2)10)7-4-8-9/h4H,3H2,1-2H3
InChIKey
MIOBDZIQLNHAEM-UHFFFAOYSA-N
Compound name
1-(2-ethyl-1,2,4-triazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.3
[M+Na]+ 162.06377 136.9
[M-H]- 138.06727 127.3
[M+NH4]+ 157.10837 146.9
[M+K]+ 178.03771 136.1
[M+H-H2O]+ 122.07181 119.9
[M+HCOO]- 184.07275 149.0
[M+CH3COO]- 198.08840 173.8
[M+Na-2H]- 160.04922 132.6
[M]+ 139.07400 128.8
[M]- 139.07510 128.8
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