CID 221810

N-(4-methylphenyl)butanamide

Structural Information

Molecular Formula
C11H15NO
SMILES
CCCC(=O)NC1=CC=C(C=C1)C
InChI
InChI=1S/C11H15NO/c1-3-4-11(13)12-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKey
KQPVRCMWSSRUKH-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

177.11537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 139.4
[M+Na]+ 200.104588 146.2
[M-H]- 176.108094 143.1
[M+NH4]+ 195.149193 159.6
[M+K]+ 216.078528 144.2
[M+H-H2O]+ 160.112630 133.4
[M+HCOO]- 222.113571 163.9
[M+CH3COO]- 236.129221 184.6
[M+Na-2H]- 198.090036 144.9
[M]+ 177.11482142 139.7
[M]- 177.11591858 139.7
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

patents stripe