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]+ 163.042336 130.3
[M+Na]+ 185.024278 140.3
[M-H]- 161.027784 135.5
[M+NH4]+ 180.068883 148.4
[M+K]+ 200.998218 139.2
[M+H-H2O]+ 145.032320 126.4
[M+HCOO]- 207.033261 147.4
[M+CH3COO]- 221.048911 177.1
[M+Na-2H]- 183.009726 135.6
[M]+ 162.03451142 136.4
[M]- 162.03560858 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