CID 4381445

4-chloro-n-(2-methylpropyl)butanamide

Structural Information

Molecular Formula
C8H16ClNO
SMILES
CC(C)CNC(=O)CCCCl
InChI
InChI=1S/C8H16ClNO/c1-7(2)6-10-8(11)4-3-5-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
OBEVTCWEZJXVCM-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-methylpropyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09204 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09932 139.2
[M+Na]+ 200.08126 148.8
[M+NH4]+ 195.12586 146.9
[M+K]+ 216.05520 142.9
[M-H]- 176.08476 138.8
[M+Na-2H]- 198.06671 142.3
[M]+ 177.09149 140.4
[M]- 177.09259 140.4
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.