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]+ 208.10019 148.0
[M+Na]+ 230.08213 153.1
[M-H]- 206.08563 146.8
[M+NH4]+ 225.12673 166.5
[M+K]+ 246.05607 152.3
[M+H-H2O]+ 190.09017 142.9
[M+HCOO]- 252.09111 162.4
[M+CH3COO]- 266.10676 184.3
[M+Na-2H]- 228.06758 149.0
[M]+ 207.09236 150.9
[M]- 207.09346 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