CID 14366

1145-81-9

Structural Information

Molecular Formula
C12H15NO4
SMILES
CCOC(=O)CNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H15NO4/c1-2-16-11(14)8-13-12(15)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKey
HAIHOTOFCDNWDA-UHFFFAOYSA-N
Compound name
ethyl 2-(phenylmethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

237.10011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 153.0
[M+Na]+ 260.08933 158.2
[M-H]- 236.09283 156.1
[M+NH4]+ 255.13393 170.0
[M+K]+ 276.06327 157.5
[M+H-H2O]+ 220.09737 145.9
[M+HCOO]- 282.09831 176.9
[M+CH3COO]- 296.11396 191.4
[M+Na-2H]- 258.07478 157.4
[M]+ 237.09956 156.0
[M]- 237.10066 156.0
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