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 158.4
[M+Na]+ 288.08425 162.7
[M-H]- 264.08775 163.9
[M+NH4]+ 283.12885 175.4
[M+K]+ 304.05819 162.5
[M+H-H2O]+ 248.09229 152.1
[M+HCOO]- 310.09323 179.0
[M+CH3COO]- 324.10888 190.9
[M+Na-2H]- 286.06970 162.5
[M]+ 265.09448 157.8
[M]- 265.09558 157.8
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