CID 165993708

Sodium 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropane-1-sulfinate

Structural Information

Molecular Formula
C10H21NO4S
SMILES
CC(C)(C)OC(=O)NCC(C)(C)CS(=O)O
InChI
InChI=1S/C10H21NO4S/c1-9(2,3)15-8(12)11-6-10(4,5)7-16(13)14/h6-7H2,1-5H3,(H,11,12)(H,13,14)
InChIKey
KGIMLRKVTNTXPI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11913 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12641 158.3
[M+Na]+ 274.10835 162.9
[M-H]- 250.11185 156.9
[M+NH4]+ 269.15295 175.0
[M+K]+ 290.08229 162.1
[M+H-H2O]+ 234.11639 153.3
[M+HCOO]- 296.11733 171.0
[M+CH3COO]- 310.13298 192.0
[M+Na-2H]- 272.09380 159.7
[M]+ 251.11858 162.1
[M]- 251.11968 162.1
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.