CID 54592469

2-chloro-n-cyclopropyl-n-(2-methylpropyl)acetamide

Structural Information

Molecular Formula
C9H16ClNO
SMILES
CC(C)CN(C1CC1)C(=O)CCl
InChI
InChI=1S/C9H16ClNO/c1-7(2)6-11(8-3-4-8)9(12)5-10/h7-8H,3-6H2,1-2H3
InChIKey
OMTVSBIQZKYGHC-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropyl-N-(2-methylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09204 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.099316 139.9
[M+Na]+ 212.081258 147.6
[M-H]- 188.084764 145.4
[M+NH4]+ 207.125863 156.0
[M+K]+ 228.055198 145.2
[M+H-H2O]+ 172.089300 134.4
[M+HCOO]- 234.090241 158.9
[M+CH3COO]- 248.105891 191.8
[M+Na-2H]- 210.066706 142.8
[M]+ 189.09149142 145.1
[M]- 189.09258858 145.1
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.