CID 87476279

1286768-71-5

Structural Information

Molecular Formula
C8H17NO2S
SMILES
C[C@@H](CS)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H17NO2S/c1-6(5-12)9-7(10)11-8(2,3)4/h6,12H,5H2,1-4H3,(H,9,10)/t6-/m0/s1
InChIKey
NCVLQTCIRKDURX-LURJTMIESA-N
Compound name
tert-butyl N-[(2S)-1-sulfanylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

191.098 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.105276 144.4
[M+Na]+ 214.087218 150.1
[M-H]- 190.090724 144.8
[M+NH4]+ 209.131823 164.5
[M+K]+ 230.061158 149.8
[M+H-H2O]+ 174.095260 139.3
[M+HCOO]- 236.096201 160.1
[M+CH3COO]- 250.111851 184.8
[M+Na-2H]- 212.072666 145.7
[M]+ 191.09745142 147.8
[M]- 191.09854858 147.8
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

patents stripe