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]+ 190.09932 139.9
[M+Na]+ 212.08126 147.6
[M-H]- 188.08476 145.4
[M+NH4]+ 207.12586 156.0
[M+K]+ 228.05520 145.2
[M+H-H2O]+ 172.08930 134.4
[M+HCOO]- 234.09024 158.9
[M+CH3COO]- 248.10589 191.8
[M+Na-2H]- 210.06671 142.8
[M]+ 189.09149 145.1
[M]- 189.09259 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.