CID 732406

N-(2,5-dimethylphenyl)butanamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CCCC(=O)NC1=C(C=CC(=C1)C)C
InChI
InChI=1S/C12H17NO/c1-4-5-12(14)13-11-8-9(2)6-7-10(11)3/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey
LEPMTPQUHNTEMS-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.2
[M+Na]+ 214.12023 156.4
[M+NH4]+ 209.16483 152.6
[M+K]+ 230.09417 149.6
[M-H]- 190.12373 147.0
[M+Na-2H]- 212.10568 150.6
[M]+ 191.13046 146.6
[M]- 191.13156 146.6
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.