CID 87832275

Tert-butyl n-(2-hydroxy-3-sulfanylpropyl)carbamate

Structural Information

Molecular Formula
C8H17NO3S
SMILES
CC(C)(C)OC(=O)NCC(CS)O
InChI
InChI=1S/C8H17NO3S/c1-8(2,3)12-7(11)9-4-6(10)5-13/h6,10,13H,4-5H2,1-3H3,(H,9,11)
InChIKey
KAJRPSXMBYHETN-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxy-3-sulfanylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

207.09291 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.100186 148.0
[M+Na]+ 230.082128 153.1
[M-H]- 206.085634 146.8
[M+NH4]+ 225.126733 166.5
[M+K]+ 246.056068 152.3
[M+H-H2O]+ 190.090170 142.9
[M+HCOO]- 252.091111 162.4
[M+CH3COO]- 266.106761 184.3
[M+Na-2H]- 228.067576 149.0
[M]+ 207.09236142 150.9
[M]- 207.09345858 150.9
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

patents stripe