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 172.7
[M+Na]+ 342.09482 176.4
[M-H]- 318.09832 175.3
[M+NH4]+ 337.13942 185.8
[M+K]+ 358.06876 175.3
[M+H-H2O]+ 302.10286 164.9
[M+HCOO]- 364.10380 194.3
[M+CH3COO]- 378.11945 206.3
[M+Na-2H]- 340.08027 172.9
[M]+ 319.10505 176.6
[M]- 319.10615 176.6
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.