CID 129318302

2-(4-isobutyrylphenyl)propanamide

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(C)C(=O)C1=CC=C(C=C1)C(C)C(=O)N
InChI
InChI=1S/C13H17NO2/c1-8(2)12(15)11-6-4-10(5-7-11)9(3)13(14)16/h4-9H,1-3H3,(H2,14,16)
InChIKey
XXWBOQIWXXZZOI-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpropanoyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.2
[M+Na]+ 242.11515 156.5
[M-H]- 218.11865 154.2
[M+NH4]+ 237.15975 168.9
[M+K]+ 258.08909 155.1
[M+H-H2O]+ 202.12319 145.0
[M+HCOO]- 264.12413 171.7
[M+CH3COO]- 278.13978 194.6
[M+Na-2H]- 240.10060 150.8
[M]+ 219.12538 150.2
[M]- 219.12648 150.2
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.