CID 22874698

174894-18-9

Structural Information

Molecular Formula
C10H16N2O4S
SMILES
CC(C)(C)OC(=O)N[C@@H](CSCC#N)C(=O)O
InChI
InChI=1S/C10H16N2O4S/c1-10(2,3)16-9(15)12-7(8(13)14)6-17-5-4-11/h7H,5-6H2,1-3H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKey
JHNYJFOVOSZPPP-ZETCQYMHSA-N
Compound name
(2R)-3-(cyanomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

260.08307 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09035 154.8
[M+Na]+ 283.07229 159.7
[M+NH4]+ 278.11689 156.0
[M+K]+ 299.04623 153.6
[M-H]- 259.07579 144.4
[M+Na-2H]- 281.05774 152.4
[M]+ 260.08252 151.6
[M]- 260.08362 151.6
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