CID 376763

54755-77-0

Structural Information

Molecular Formula
C12H15NO4
SMILES
COC(=O)CCNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H15NO4/c1-16-11(14)7-8-13-12(15)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,15)
InChIKey
LWSYHFSVQUXZJI-UHFFFAOYSA-N
Compound name
methyl 3-(phenylmethoxycarbonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

237.10011 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.