CID 91666834

Schembl20315238

Structural Information

Molecular Formula
C9H19NO2S
SMILES
CC[C@H](CS)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H19NO2S/c1-5-7(6-13)10-8(11)12-9(2,3)4/h7,13H,5-6H2,1-4H3,(H,10,11)/t7-/m1/s1
InChIKey
ZDVCRTVXFGTEEW-SSDOTTSWSA-N
Compound name
tert-butyl N-[(2R)-1-sulfanylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.11365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12093 150.2
[M+Na]+ 228.10287 157.3
[M+NH4]+ 223.14747 157.0
[M+K]+ 244.07681 151.8
[M-H]- 204.10637 148.7
[M+Na-2H]- 226.08832 151.4
[M]+ 205.11310 151.0
[M]- 205.11420 151.0
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