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 150.7
[M+Na]+ 256.06139 157.9
[M-H]- 232.06489 154.9
[M+NH4]+ 251.10599 172.3
[M+K]+ 272.03533 156.1
[M+H-H2O]+ 216.06943 146.4
[M+HCOO]- 278.07037 164.9
[M+CH3COO]- 292.08602 181.2
[M+Na-2H]- 254.04684 148.5
[M]+ 233.07162 149.4
[M]- 233.07272 149.4
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.