CID 13214267

2-(chloromethyl)-2-methylcyclopentan-1-one

Structural Information

Molecular Formula
C7H11ClO
SMILES
CC1(CCCC1=O)CCl
InChI
InChI=1S/C7H11ClO/c1-7(5-8)4-2-3-6(7)9/h2-5H2,1H3
InChIKey
XWYYBAHMEJIMKQ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-2-methylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.04984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05712 128.3
[M+Na]+ 169.03906 137.3
[M-H]- 145.04256 131.9
[M+NH4]+ 164.08366 154.4
[M+K]+ 185.01300 134.4
[M+H-H2O]+ 129.04710 125.3
[M+HCOO]- 191.04804 147.1
[M+CH3COO]- 205.06369 171.9
[M+Na-2H]- 167.02451 133.3
[M]+ 146.04929 128.3
[M]- 146.05039 128.3
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.