CID 14349

1138-80-3

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)O
InChI
InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
InChIKey
CJUMAFVKTCBCJK-UHFFFAOYSA-N
Compound name
2-(phenylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

5579
Patents

209.0688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.9
[M+Na]+ 232.05802 149.5
[M-H]- 208.06152 145.9
[M+NH4]+ 227.10262 161.3
[M+K]+ 248.03196 148.3
[M+H-H2O]+ 192.06606 137.4
[M+HCOO]- 254.06700 166.9
[M+CH3COO]- 268.08265 183.5
[M+Na-2H]- 230.04347 148.9
[M]+ 209.06825 144.4
[M]- 209.06935 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe