CID 66039

104-97-2

Structural Information

Molecular Formula
C8H13ClO
SMILES
C1CCC(C1)CCC(=O)Cl
InChI
InChI=1S/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2
InChIKey
SZQVEGOXJYTLLB-UHFFFAOYSA-N
Compound name
3-cyclopentylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1610
Patents

160.06549 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.072766 136.1
[M+Na]+ 183.054708 142.5
[M-H]- 159.058214 138.8
[M+NH4]+ 178.099313 159.1
[M+K]+ 199.028648 139.7
[M+H-H2O]+ 143.062750 131.6
[M+HCOO]- 205.063691 153.4
[M+CH3COO]- 219.079341 175.1
[M+Na-2H]- 181.040156 138.6
[M]+ 160.06494142 135.2
[M]- 160.06603858 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe