CID 10877955

Refchem:910082

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC(C(=O)C)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H13NO2/c1-8(9(2)13)11(14)12-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14)
InChIKey
RNZCXQSXXMSWPG-UHFFFAOYSA-N
Compound name
2-methyl-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

88
Patents

191.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 142.4
[M+Na]+ 214.08386 147.9
[M-H]- 190.08736 145.8
[M+NH4]+ 209.12846 161.3
[M+K]+ 230.05780 146.7
[M+H-H2O]+ 174.09190 136.1
[M+HCOO]- 236.09284 165.2
[M+CH3COO]- 250.10849 186.4
[M+Na-2H]- 212.06931 146.0
[M]+ 191.09409 141.7
[M]- 191.09519 141.7
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

patents stripe