CID 95686

2566-19-0

Structural Information

Molecular Formula
C12H14N2O5
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)O
InChI
InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17)
InChIKey
VFRCXEHNAFUTQC-UHFFFAOYSA-N
Compound name
2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

447
Patents

266.09027 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 158.2
[M+Na]+ 289.07949 161.9
[M-H]- 265.08299 159.9
[M+NH4]+ 284.12409 172.6
[M+K]+ 305.05343 160.9
[M+H-H2O]+ 249.08753 150.6
[M+HCOO]- 311.08847 181.0
[M+CH3COO]- 325.10412 196.5
[M+Na-2H]- 287.06494 161.3
[M]+ 266.08972 158.6
[M]- 266.09082 158.6
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.