CID 80297288

2-chloro-1-(1-methylcyclopropyl)ethan-1-one

Structural Information

Molecular Formula
C6H9ClO
SMILES
CC1(CC1)C(=O)CCl
InChI
InChI=1S/C6H9ClO/c1-6(2-3-6)5(8)4-7/h2-4H2,1H3
InChIKey
BEVPNJLAXOFBFI-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-methylcyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

132.0342 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04148 123.2
[M+Na]+ 155.02342 133.5
[M-H]- 131.02692 128.1
[M+NH4]+ 150.06802 142.9
[M+K]+ 170.99736 131.3
[M+H-H2O]+ 115.03146 119.8
[M+HCOO]- 177.03240 142.1
[M+CH3COO]- 191.04805 174.8
[M+Na-2H]- 153.00887 130.3
[M]+ 132.03365 127.7
[M]- 132.03475 127.7
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

patents stripe