CID 126970894

1-(2-ethyl-5-methyl-2h-1,2,3-triazol-4-yl)ethan-1-one

Structural Information

Molecular Formula
C7H11N3O
SMILES
CCN1N=C(C(=N1)C(=O)C)C
InChI
InChI=1S/C7H11N3O/c1-4-10-8-5(2)7(9-10)6(3)11/h4H2,1-3H3
InChIKey
GOBGVGBEMRSDFM-UHFFFAOYSA-N
Compound name
1-(2-ethyl-5-methyltriazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.097486 131.4
[M+Na]+ 176.079428 141.6
[M-H]- 152.082934 131.7
[M+NH4]+ 171.124033 150.8
[M+K]+ 192.053368 140.5
[M+H-H2O]+ 136.087470 124.2
[M+HCOO]- 198.088411 152.9
[M+CH3COO]- 212.104061 177.9
[M+Na-2H]- 174.064876 135.6
[M]+ 153.08966142 133.7
[M]- 153.09075858 133.7
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

No patent data available for this compound.