CID 7020917

134107-69-0

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CSC=N1)C(=O)O
InChI
InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-8(9(14)15)4-7-5-18-6-12-7/h5-6,8H,4H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1
InChIKey
RVXBTZJECMMZSB-MRVPVSSYSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

272.08307 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09035 162.7
[M+Na]+ 295.07229 168.1
[M+NH4]+ 290.11689 167.3
[M+K]+ 311.04623 166.5
[M-H]- 271.07579 160.1
[M+Na-2H]- 293.05774 163.7
[M]+ 272.08252 162.6
[M]- 272.08362 162.6
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