CID 24692490

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

Structural Information

Molecular Formula
C8H16ClNO
SMILES
CCC(C)(C)NC(=O)C(C)Cl
InChI
InChI=1S/C8H16ClNO/c1-5-8(3,4)10-7(11)6(2)9/h6H,5H2,1-4H3,(H,10,11)
InChIKey
HPEFGDWNJFYURQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methylbutan-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.099316 139.9
[M+Na]+ 200.081258 146.6
[M-H]- 176.084764 140.3
[M+NH4]+ 195.125863 160.9
[M+K]+ 216.055198 144.7
[M+H-H2O]+ 160.089300 136.5
[M+HCOO]- 222.090241 156.5
[M+CH3COO]- 236.105891 184.2
[M+Na-2H]- 198.066706 143.9
[M]+ 177.09149142 141.9
[M]- 177.09258858 141.9
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.