CID 89933340

2169130-85-0

Structural Information

Molecular Formula
C6H10O3S
SMILES
CC(=O)C1(CC1)S(=O)(=O)C
InChI
InChI=1S/C6H10O3S/c1-5(7)6(3-4-6)10(2,8)9/h3-4H2,1-2H3
InChIKey
AMRGACVZZJSOSF-UHFFFAOYSA-N
Compound name
1-(1-methylsulfonylcyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

162.03506 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04234 130.3
[M+Na]+ 185.02428 140.3
[M-H]- 161.02778 135.5
[M+NH4]+ 180.06888 148.4
[M+K]+ 200.99822 139.2
[M+H-H2O]+ 145.03232 126.4
[M+HCOO]- 207.03326 147.4
[M+CH3COO]- 221.04891 177.1
[M+Na-2H]- 183.00973 135.6
[M]+ 162.03451 136.4
[M]- 162.03561 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

patents stripe