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 143.5
[M+Na]+ 214.12023 150.8
[M-H]- 190.12373 147.4
[M+NH4]+ 209.16483 163.4
[M+K]+ 230.09417 148.5
[M+H-H2O]+ 174.12827 137.5
[M+HCOO]- 236.12921 167.6
[M+CH3COO]- 250.14486 188.8
[M+Na-2H]- 212.10568 147.8
[M]+ 191.13046 144.6
[M]- 191.13156 144.6
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

patents stripe