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

11
Patents

117.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 123.5
[M+Na]+ 140.050438 130.7
[M-H]- 116.053944 124.3
[M+NH4]+ 135.095043 146.5
[M+K]+ 156.024378 128.9
[M+H-H2O]+ 100.058480 118.3
[M+HCOO]- 162.059421 139.2
[M+CH3COO]- 176.075071 164.1
[M+Na-2H]- 138.035886 125.3
[M]+ 117.06067142 120.8
[M]- 117.06176858 120.8
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