CID 10956384

Schembl8680909

Structural Information

Molecular Formula
C14H17NO4
SMILES
CCOC(=O)/C=C(\C)/N[C@H](C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C14H17NO4/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11/h4-9,13,15H,3H2,1-2H3,(H,17,18)/b10-9+/t13-/m1/s1
InChIKey
SDGOHFKMDLYFMZ-WTNCMQEWSA-N
Compound name
(2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

320
Patents

263.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 161.5
[M+Na]+ 286.104968 165.1
[M-H]- 262.108474 163.0
[M+NH4]+ 281.149573 176.4
[M+K]+ 302.078908 163.6
[M+H-H2O]+ 246.113010 154.6
[M+HCOO]- 308.113951 181.4
[M+CH3COO]- 322.129601 196.6
[M+Na-2H]- 284.090416 161.9
[M]+ 263.11520142 161.5
[M]- 263.11629858 161.5
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.