CID 168028342

2135442-60-1

Structural Information

Molecular Formula
C10H10O2S
SMILES
C1[C@@H]([C@H]1SC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C10H10O2S/c11-10(12)8-6-9(8)13-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9-/m0/s1
InChIKey
CCYWYCFSZCKDIN-IUCAKERBSA-N
Compound name
(1R,2S)-2-phenylsulfanylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.04015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04743 134.0
[M+Na]+ 217.02937 143.1
[M-H]- 193.03287 140.5
[M+NH4]+ 212.07397 148.5
[M+K]+ 233.00331 139.4
[M+H-H2O]+ 177.03741 127.8
[M+HCOO]- 239.03835 151.9
[M+CH3COO]- 253.05400 182.6
[M+Na-2H]- 215.01482 137.2
[M]+ 194.03960 137.6
[M]- 194.04070 137.6
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.