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 161.5
[M+Na]+ 284.09272 166.0
[M-H]- 260.09622 161.3
[M+NH4]+ 279.13732 178.3
[M+K]+ 300.06666 165.2
[M+H-H2O]+ 244.10076 155.7
[M+HCOO]- 306.10170 176.2
[M+CH3COO]- 320.11735 196.2
[M+Na-2H]- 282.07817 160.7
[M]+ 261.10295 166.8
[M]- 261.10405 166.8
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