CID 3017515

Pyrrolidine-1-carbothioic s-acid

Structural Information

Molecular Formula
C5H9NOS
SMILES
C1CCN(C1)C(=O)S
InChI
InChI=1S/C5H9NOS/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)
InChIKey
URXNOJQCVQXMCT-UHFFFAOYSA-N
Compound name
pyrrolidine-1-carbothioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

131.04048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.047756 126.4
[M+Na]+ 154.029698 133.9
[M-H]- 130.033204 128.7
[M+NH4]+ 149.074303 149.3
[M+K]+ 170.003638 133.4
[M+H-H2O]+ 114.037740 120.9
[M+HCOO]- 176.038681 142.9
[M+CH3COO]- 190.054331 168.0
[M+Na-2H]- 152.015146 127.5
[M]+ 131.03993142 125.6
[M]- 131.04102858 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe