CID 52107

73680-53-2

Structural Information

Molecular Formula
C16H17NO6
SMILES
C=COC(=O)C[C@@H](C(=O)OC=C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C16H17NO6/c1-3-21-14(18)10-13(15(19)22-4-2)17-16(20)23-11-12-8-6-5-7-9-12/h3-9,13H,1-2,10-11H2,(H,17,20)/t13-/m0/s1
InChIKey
UDBXJDZZHOVCPP-ZDUSSCGKSA-N
Compound name
bis(ethenyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11288 172.9
[M+Na]+ 342.09482 180.0
[M+NH4]+ 337.13942 176.0
[M+K]+ 358.06876 176.9
[M-H]- 318.09832 170.9
[M+Na-2H]- 340.08027 174.8
[M]+ 319.10505 172.6
[M]- 319.10615 172.6
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

No patent data available for this compound.