CID 210155

21056-29-1

Structural Information

Molecular Formula
C15H22ClNO
SMILES
CCCC(CCC)C(=O)NC1=C(C=CC(=C1)Cl)C
InChI
InChI=1S/C15H22ClNO/c1-4-6-12(7-5-2)15(18)17-14-10-13(16)9-8-11(14)3/h8-10,12H,4-7H2,1-3H3,(H,17,18)
InChIKey
DLVXXPFDZWYPJW-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13898 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14626 164.2
[M+Na]+ 290.12820 170.7
[M-H]- 266.13170 167.4
[M+NH4]+ 285.17280 181.8
[M+K]+ 306.10214 166.1
[M+H-H2O]+ 250.13624 158.6
[M+HCOO]- 312.13718 181.7
[M+CH3COO]- 326.15283 202.5
[M+Na-2H]- 288.11365 165.1
[M]+ 267.13843 167.8
[M]- 267.13953 167.8
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.