CID 16226850

1046534-67-1

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]+ 234.079446 150.7
[M+Na]+ 256.061388 157.9
[M-H]- 232.064894 154.9
[M+NH4]+ 251.105993 172.3
[M+K]+ 272.035328 156.1
[M+H-H2O]+ 216.069430 146.4
[M+HCOO]- 278.070371 164.9
[M+CH3COO]- 292.086021 181.2
[M+Na-2H]- 254.046836 148.5
[M]+ 233.07162142 149.4
[M]- 233.07271858 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.