CID 16226850

1-(1,1-dioxo-1lambda6-thiolan-3-yl)pyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H15NO4S
SMILES
C1CC(N(C1)C2CCS(=O)(=O)C2)C(=O)O
InChI
InChI=1S/C9H15NO4S/c11-9(12)8-2-1-4-10(8)7-3-5-15(13,14)6-7/h7-8H,1-6H2,(H,11,12)
InChIKey
JRTXZCHACQZANY-UHFFFAOYSA-N
Compound name
1-(1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.07217 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07945 152.3
[M+Na]+ 256.06139 158.7
[M+NH4]+ 251.10599 160.1
[M+K]+ 272.03533 155.3
[M-H]- 232.06489 151.7
[M+Na-2H]- 254.04684 154.7
[M]+ 233.07162 153.1
[M]- 233.07272 153.1
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.