CID 131017558

1-chloro-3-(1-methylcyclopropyl)propan-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.04984 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05712 127.5
[M+Na]+ 169.03906 137.4
[M-H]- 145.04256 132.2
[M+NH4]+ 164.08366 146.7
[M+K]+ 185.01300 135.0
[M+H-H2O]+ 129.04710 123.9
[M+HCOO]- 191.04804 146.0
[M+CH3COO]- 205.06369 177.6
[M+Na-2H]- 167.02451 134.1
[M]+ 146.04929 132.3
[M]- 146.05039 132.3
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.