CID 4103610

3-chloro-n-cyclopentylpropanamide

Structural Information

Molecular Formula
C8H14ClNO
SMILES
C1CCC(C1)NC(=O)CCCl
InChI
InChI=1S/C8H14ClNO/c9-6-5-8(11)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)
InChIKey
BQKNSWFSFZEJCJ-UHFFFAOYSA-N
Compound name
3-chloro-N-cyclopentylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07639 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08367 140.5
[M+Na]+ 198.06561 146.0
[M-H]- 174.06911 143.1
[M+NH4]+ 193.11021 162.6
[M+K]+ 214.03955 143.1
[M+H-H2O]+ 158.07365 135.4
[M+HCOO]- 220.07459 158.8
[M+CH3COO]- 234.09024 179.1
[M+Na-2H]- 196.05106 143.2
[M]+ 175.07584 138.8
[M]- 175.07694 138.8
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.