CID 575447

1-methylpyrrolidine-2-thione

Structural Information

Molecular Formula
C5H9NS
SMILES
CN1CCCC1=S
InChI
InChI=1S/C5H9NS/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey
OQILOJRSIWGQSM-UHFFFAOYSA-N
Compound name
1-methylpyrrolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

115.04557 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.05285 121.5
[M+Na]+ 138.03479 130.3
[M-H]- 114.03829 124.2
[M+NH4]+ 133.07939 145.5
[M+K]+ 154.00873 128.9
[M+H-H2O]+ 98.042830 116.4
[M+HCOO]- 160.04377 138.8
[M+CH3COO]- 174.05942 167.0
[M+Na-2H]- 136.02024 123.1
[M]+ 115.04502 120.4
[M]- 115.04612 120.4
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