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]+ 252.09972 154.6
[M+Na]+ 274.08166 160.5
[M-H]- 250.08516 155.0
[M+NH4]+ 269.12626 172.6
[M+K]+ 290.05560 160.1
[M+H-H2O]+ 234.08970 150.9
[M+HCOO]- 296.09064 169.8
[M+CH3COO]- 310.10629 195.1
[M+Na-2H]- 272.06711 155.7
[M]+ 251.09189 159.7
[M]- 251.09299 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.