CID 165654607

1,2-dimethyl-5-oxopyrrolidine-2-carbothioamide

Structural Information

Molecular Formula
C7H12N2OS
SMILES
CC1(CCC(=O)N1C)C(=S)N
InChI
InChI=1S/C7H12N2OS/c1-7(6(8)11)4-3-5(10)9(7)2/h3-4H2,1-2H3,(H2,8,11)
InChIKey
RGPZENYEGMVNTA-UHFFFAOYSA-N
Compound name
1,2-dimethyl-5-oxopyrrolidine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06703 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07431 134.9
[M+Na]+ 195.05625 143.4
[M-H]- 171.05975 137.1
[M+NH4]+ 190.10085 158.0
[M+K]+ 211.03019 141.2
[M+H-H2O]+ 155.06429 130.4
[M+HCOO]- 217.06523 151.2
[M+CH3COO]- 231.08088 179.6
[M+Na-2H]- 193.04170 135.0
[M]+ 172.06648 133.5
[M]- 172.06758 133.5
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

No patent data available for this compound.