CID 167737683

Sodium 2-{[(tert-butoxy)carbonyl]amino}-2-methylpropane-1-sulfinate

Structural Information

Molecular Formula
C9H19NO4S
SMILES
CC(C)(C)OC(=O)NC(C)(C)CS(=O)O
InChI
InChI=1S/C9H19NO4S/c1-8(2,3)14-7(11)10-9(4,5)6-15(12)13/h6H2,1-5H3,(H,10,11)(H,12,13)
InChIKey
UMTLDOCOGAKFCD-UHFFFAOYSA-N
Compound name
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10349 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11077 153.9
[M+Na]+ 260.09271 158.9
[M-H]- 236.09621 152.6
[M+NH4]+ 255.13731 171.1
[M+K]+ 276.06665 158.3
[M+H-H2O]+ 220.10075 149.0
[M+HCOO]- 282.10169 166.9
[M+CH3COO]- 296.11734 189.0
[M+Na-2H]- 258.07816 155.7
[M]+ 237.10294 157.3
[M]- 237.10404 157.3
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.