CID 64145864

1262406-85-8

Structural Information

Molecular Formula
C13H15NO5
SMILES
C1COCC1(C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H15NO5/c15-11(16)13(6-7-18-9-13)14-12(17)19-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,17)(H,15,16)
InChIKey
HDPOINUGZWATFQ-UHFFFAOYSA-N
Compound name
3-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.09503 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 159.6
[M+Na]+ 288.08425 167.4
[M+NH4]+ 283.12885 166.7
[M+K]+ 304.05819 164.1
[M-H]- 264.08775 161.8
[M+Na-2H]- 286.06970 164.8
[M]+ 265.09448 161.0
[M]- 265.09558 161.0
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

patents stripe