CID 83768

13839-15-1

Structural Information

Molecular Formula
C6H11NOS
SMILES
C1CC(=O)N(C1)CCS
InChI
InChI=1S/C6H11NOS/c8-6-2-1-3-7(6)4-5-9/h9H,1-5H2
InChIKey
JBODMFWMIWWZSF-UHFFFAOYSA-N
Compound name
1-(2-sulfanylethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

122
Patents

145.05614 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.063416 129.5
[M+Na]+ 168.045358 137.7
[M-H]- 144.048864 131.9
[M+NH4]+ 163.089963 152.2
[M+K]+ 184.019298 136.4
[M+H-H2O]+ 128.053400 124.0
[M+HCOO]- 190.054341 146.7
[M+CH3COO]- 204.069991 171.9
[M+Na-2H]- 166.030806 130.6
[M]+ 145.05559142 130.1
[M]- 145.05668858 130.1
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