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]+ 147.057116 127.5
[M+Na]+ 169.039058 137.4
[M-H]- 145.042564 132.2
[M+NH4]+ 164.083663 146.7
[M+K]+ 185.012998 135.0
[M+H-H2O]+ 129.047100 123.9
[M+HCOO]- 191.048041 146.0
[M+CH3COO]- 205.063691 177.6
[M+Na-2H]- 167.024506 134.1
[M]+ 146.04929142 132.3
[M]- 146.05038858 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.