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 140.8
[M+Na]+ 200.08126 147.1
[M-H]- 176.08476 140.8
[M+NH4]+ 195.12586 161.7
[M+K]+ 216.05520 144.8
[M+H-H2O]+ 160.08930 136.7
[M+HCOO]- 222.09024 159.0
[M+CH3COO]- 236.10589 183.9
[M+Na-2H]- 198.06671 144.0
[M]+ 177.09149 143.2
[M]- 177.09259 143.2
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.