CID 87476279

Tert-butyl n-[(2s)-1-sulfanylpropan-2-yl]carbamate

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

16
Patents

191.098 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 146.0
[M+Na]+ 214.08722 153.2
[M+NH4]+ 209.13182 152.9
[M+K]+ 230.06116 148.0
[M-H]- 190.09072 144.5
[M+Na-2H]- 212.07267 147.4
[M]+ 191.09745 146.8
[M]- 191.09855 146.8
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