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

18
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 144.4
[M+Na]+ 214.08722 150.1
[M-H]- 190.09072 144.8
[M+NH4]+ 209.13182 164.5
[M+K]+ 230.06116 149.8
[M+H-H2O]+ 174.09526 139.3
[M+HCOO]- 236.09620 160.1
[M+CH3COO]- 250.11185 184.8
[M+Na-2H]- 212.07267 145.7
[M]+ 191.09745 147.8
[M]- 191.09855 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