CID 28693967

2-(cyclopropylsulfanyl)acetic acid

Structural Information

Molecular Formula
C5H8O2S
SMILES
C1CC1SCC(=O)O
InChI
InChI=1S/C5H8O2S/c6-5(7)3-8-4-1-2-4/h4H,1-3H2,(H,6,7)
InChIKey
PSQRLFWENSJMQV-UHFFFAOYSA-N
Compound name
2-cyclopropylsulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.0245 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.03178 127.4
[M+Na]+ 155.01372 138.2
[M+NH4]+ 150.05832 136.3
[M+K]+ 170.98766 133.3
[M-H]- 131.01722 134.4
[M+Na-2H]- 152.99917 133.5
[M]+ 132.02395 132.2
[M]- 132.02505 132.2
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.