CID 155820365

1-chloro-4-[(1r,2r)-2-methylcyclopropyl]butan-2-one

Structural Information

Molecular Formula
C8H13ClO
SMILES
C[C@@H]1C[C@H]1CCC(=O)CCl
InChI
InChI=1S/C8H13ClO/c1-6-4-7(6)2-3-8(10)5-9/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey
LNRMUIYPWRLUQZ-RNFRBKRXSA-N
Compound name
1-chloro-4-[(1R,2R)-2-methylcyclopropyl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06549 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07277 131.1
[M+Na]+ 183.05471 140.9
[M-H]- 159.05821 135.7
[M+NH4]+ 178.09931 148.3
[M+K]+ 199.02865 137.3
[M+H-H2O]+ 143.06275 126.4
[M+HCOO]- 205.06369 149.7
[M+CH3COO]- 219.07934 182.0
[M+Na-2H]- 181.04016 135.6
[M]+ 160.06494 136.4
[M]- 160.06604 136.4
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.