CID 1559568

Pyrrolidine-1-carbothioamide

Structural Information

Molecular Formula
C5H10N2S
SMILES
C1CCN(C1)C(=S)N
InChI
InChI=1S/C5H10N2S/c6-5(8)7-3-1-2-4-7/h1-4H2,(H2,6,8)
InChIKey
DJQOGYTZMZEXJN-UHFFFAOYSA-N
Compound name
pyrrolidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

231
Patents

130.05647 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06375 127.0
[M+Na]+ 153.04569 133.7
[M-H]- 129.04919 128.7
[M+NH4]+ 148.09029 149.4
[M+K]+ 169.01963 132.1
[M+H-H2O]+ 113.05373 121.1
[M+HCOO]- 175.05467 143.6
[M+CH3COO]- 189.07032 170.0
[M+Na-2H]- 151.03114 127.5
[M]+ 130.05592 123.0
[M]- 130.05702 123.0
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