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]+ 140.081826 127.3
[M+Na]+ 162.063768 136.9
[M-H]- 138.067274 127.3
[M+NH4]+ 157.108373 146.9
[M+K]+ 178.037708 136.1
[M+H-H2O]+ 122.071810 119.9
[M+HCOO]- 184.072751 149.0
[M+CH3COO]- 198.088401 173.8
[M+Na-2H]- 160.049216 132.6
[M]+ 139.07400142 128.8
[M]- 139.07509858 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