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]+ 178.09932 140.8
[M+Na]+ 200.08126 146.9
[M-H]- 176.08476 140.9
[M+NH4]+ 195.12586 161.6
[M+K]+ 216.05520 145.0
[M+H-H2O]+ 160.08930 136.9
[M+HCOO]- 222.09024 158.0
[M+CH3COO]- 236.10589 184.8
[M+Na-2H]- 198.06671 142.8
[M]+ 177.09149 142.6
[M]- 177.09259 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.