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]+ 206.15395 148.2
[M+Na]+ 228.13589 155.0
[M-H]- 204.13939 151.9
[M+NH4]+ 223.18049 167.5
[M+K]+ 244.10983 152.5
[M+H-H2O]+ 188.14393 142.0
[M+HCOO]- 250.14487 171.9
[M+CH3COO]- 264.16052 191.9
[M+Na-2H]- 226.12134 151.9
[M]+ 205.14612 149.6
[M]- 205.14722 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