CID 24710832

2-chloro-n-(pentan-2-yl)propanamide

Structural Information

Molecular Formula
C8H16ClNO
SMILES
CCCC(C)NC(=O)C(C)Cl
InChI
InChI=1S/C8H16ClNO/c1-4-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey
FBRWSGWUMCNOPN-UHFFFAOYSA-N
Compound name
2-chloro-N-pentan-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09204 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.099316 140.8
[M+Na]+ 200.081258 146.9
[M-H]- 176.084764 140.9
[M+NH4]+ 195.125863 161.6
[M+K]+ 216.055198 145.0
[M+H-H2O]+ 160.089300 136.9
[M+HCOO]- 222.090241 158.0
[M+CH3COO]- 236.105891 184.8
[M+Na-2H]- 198.066706 142.8
[M]+ 177.09149142 142.6
[M]- 177.09258858 142.6
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

No patent data available for this compound.