CID 22102233

35120-12-8

Structural Information

Molecular Formula
C5H8O2S
SMILES
CSC1(CC1)C(=O)O
InChI
InChI=1S/C5H8O2S/c1-8-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
CZDQABULEQWLGA-UHFFFAOYSA-N
Compound name
1-methylsulfanylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

132.0245 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.03178 122.1
[M+Na]+ 155.01372 131.4
[M-H]- 131.01722 125.9
[M+NH4]+ 150.05832 140.7
[M+K]+ 170.98766 130.1
[M+H-H2O]+ 115.02176 117.9
[M+HCOO]- 177.02270 139.0
[M+CH3COO]- 191.03835 171.2
[M+Na-2H]- 152.99917 126.7
[M]+ 132.02395 126.3
[M]- 132.02505 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe