CID 70314651

2138279-25-9

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)S(=O)O
InChI
InChI=1S/C9H17NO4S/c1-9(2,3)14-8(11)10-5-4-7(6-10)15(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
GPAGPDICSBIXAC-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08783 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09511 153.4
[M+Na]+ 258.07705 159.5
[M-H]- 234.08055 154.3
[M+NH4]+ 253.12165 171.6
[M+K]+ 274.05099 158.8
[M+H-H2O]+ 218.08509 148.4
[M+HCOO]- 280.08603 165.5
[M+CH3COO]- 294.10168 183.6
[M+Na-2H]- 256.06250 152.0
[M]+ 235.08728 155.0
[M]- 235.08838 155.0
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.