CID 152997706

Methyl (2s)-2-{[(benzyloxy)carbonyl]amino}-4-chlorobutanoate

Structural Information

Molecular Formula
C13H16ClNO4
SMILES
COC(=O)[C@H](CCCl)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H16ClNO4/c1-18-12(16)11(7-8-14)15-13(17)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,17)/t11-/m0/s1
InChIKey
UXNYFGDFXDHLHR-NSHDSACASA-N
Compound name
methyl (2S)-4-chloro-2-(phenylmethoxycarbonylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08406 162.6
[M+Na]+ 308.06600 172.4
[M+NH4]+ 303.11060 168.6
[M+K]+ 324.03994 167.3
[M-H]- 284.06950 162.8
[M+Na-2H]- 306.05145 166.9
[M]+ 285.07623 163.9
[M]- 285.07733 163.9
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.