CID 10374446

522607-45-0

Structural Information

Molecular Formula
C5H11NS
SMILES
C1C[C@H](NC1)CS
InChI
InChI=1S/C5H11NS/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
InChIKey
LKQWWEHOLGUDAQ-YFKPBYRVSA-N
Compound name
[(2S)-pyrrolidin-2-yl]methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

117.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 123.9
[M+Na]+ 140.05044 133.4
[M+NH4]+ 135.09504 133.4
[M+K]+ 156.02438 127.3
[M-H]- 116.05394 125.0
[M+Na-2H]- 138.03589 127.7
[M]+ 117.06067 125.8
[M]- 117.06177 125.8
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