CID 2384361

2-chloro-n-(cyclopropylmethyl)-n-propylacetamide

Structural Information

Molecular Formula
C9H16ClNO
SMILES
CCCN(CC1CC1)C(=O)CCl
InChI
InChI=1S/C9H16ClNO/c1-2-5-11(9(12)6-10)7-8-3-4-8/h8H,2-7H2,1H3
InChIKey
HBRDBSOOZIZPIC-UHFFFAOYSA-N
Compound name
2-chloro-N-(cyclopropylmethyl)-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09204 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09932 140.7
[M+Na]+ 212.08126 148.6
[M-H]- 188.08476 146.1
[M+NH4]+ 207.12586 156.8
[M+K]+ 228.05520 145.8
[M+H-H2O]+ 172.08930 135.0
[M+HCOO]- 234.09024 160.5
[M+CH3COO]- 248.10589 191.0
[M+Na-2H]- 210.06671 144.7
[M]+ 189.09149 146.4
[M]- 189.09259 146.4
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.