CID 90160712

149034-32-2

Structural Information

Molecular Formula
C11H19NO4S
SMILES
CC(C)(C)OC(=O)N[C@@H](CS)C(=O)OCC=C
InChI
InChI=1S/C11H19NO4S/c1-5-6-15-9(13)8(7-17)12-10(14)16-11(2,3)4/h5,8,17H,1,6-7H2,2-4H3,(H,12,14)/t8-/m0/s1
InChIKey
WKYGQDYSVMPUIH-QMMMGPOBSA-N
Compound name
prop-2-enyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

261.1035 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11078 163.0
[M+Na]+ 284.09272 168.4
[M+NH4]+ 279.13732 167.6
[M+K]+ 300.06666 164.3
[M-H]- 260.09622 159.6
[M+Na-2H]- 282.07817 162.4
[M]+ 261.10295 162.8
[M]- 261.10405 162.8
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