CID 137952050

1-chloroethyl (2s)-2-{[(tert-butoxy)carbonyl]amino}propanoate

Structural Information

Molecular Formula
C10H18ClNO4
SMILES
C[C@@H](C(=O)OC(C)Cl)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H18ClNO4/c1-6(8(13)15-7(2)11)12-9(14)16-10(3,4)5/h6-7H,1-5H3,(H,12,14)/t6-,7?/m0/s1
InChIKey
XQLFCVHJXMVTJV-PKPIPKONSA-N
Compound name
1-chloroethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09244 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.099716 154.6
[M+Na]+ 274.081658 160.5
[M-H]- 250.085164 155.0
[M+NH4]+ 269.126263 172.6
[M+K]+ 290.055598 160.1
[M+H-H2O]+ 234.089700 150.9
[M+HCOO]- 296.090641 169.8
[M+CH3COO]- 310.106291 195.1
[M+Na-2H]- 272.067106 155.7
[M]+ 251.09189142 159.7
[M]- 251.09298858 159.7
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

No patent data available for this compound.