CID 118398

N-(2,6-dimethylphenyl)pentanamide

Structural Information

Molecular Formula
C13H19NO
SMILES
CCCCC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C13H19NO/c1-4-5-9-12(15)14-13-10(2)7-6-8-11(13)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)
InChIKey
NKAJIRABTPKGEC-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

205.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.2
[M+Na]+ 228.135888 155.0
[M-H]- 204.139394 151.9
[M+NH4]+ 223.180493 167.5
[M+K]+ 244.109828 152.5
[M+H-H2O]+ 188.143930 142.0
[M+HCOO]- 250.144871 171.9
[M+CH3COO]- 264.160521 191.9
[M+Na-2H]- 226.121336 151.9
[M]+ 205.14612142 149.6
[M]- 205.14721858 149.6
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