CID 165949480

Sodium (1-{[(tert-butoxy)carbonyl]amino}cyclopropyl)methanesulfinate

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CC(C)(C)OC(=O)NC1(CC1)CS(=O)O
InChI
InChI=1S/C9H17NO4S/c1-8(2,3)14-7(11)10-9(4-5-9)6-15(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKey
RXDBZHFRDCXATN-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08783 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.095106 148.0
[M+Na]+ 258.077048 155.0
[M-H]- 234.080554 150.9
[M+NH4]+ 253.121653 162.3
[M+K]+ 274.050988 153.2
[M+H-H2O]+ 218.085090 143.7
[M+HCOO]- 280.086031 162.7
[M+CH3COO]- 294.101681 189.6
[M+Na-2H]- 256.062496 151.4
[M]+ 235.08728142 153.9
[M]- 235.08837858 153.9
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.