CID 165864591

2138167-83-4

Structural Information

Molecular Formula
C10H19NO4S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CS(=O)O
InChI
InChI=1S/C10H19NO4S/c1-10(2,3)15-9(12)11-5-4-8(6-11)7-16(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
AYVZIEGRPVHPMU-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10349 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.110766 157.9
[M+Na]+ 272.092708 163.6
[M-H]- 248.096214 158.5
[M+NH4]+ 267.137313 175.5
[M+K]+ 288.066648 162.6
[M+H-H2O]+ 232.100750 152.6
[M+HCOO]- 294.101691 169.6
[M+CH3COO]- 308.117341 186.6
[M+Na-2H]- 270.078156 156.0
[M]+ 249.10294142 159.8
[M]- 249.10403858 159.8
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.