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]+ 178.09932 139.9
[M+Na]+ 200.08126 146.6
[M-H]- 176.08476 140.3
[M+NH4]+ 195.12586 160.9
[M+K]+ 216.05520 144.7
[M+H-H2O]+ 160.08930 136.5
[M+HCOO]- 222.09024 156.5
[M+CH3COO]- 236.10589 184.2
[M+Na-2H]- 198.06671 143.9
[M]+ 177.09149 141.9
[M]- 177.09259 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.