CID 20312296

35395-64-3

Structural Information

Molecular Formula
C13H14O5
SMILES
C1CC(OC1)COC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C13H14O5/c14-12(15)10-5-1-2-6-11(10)13(16)18-8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
InChIKey
UVTWTSOAOYEVAL-UHFFFAOYSA-N
Compound name
2-(oxolan-2-ylmethoxycarbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

250.08412 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.091396 154.3
[M+Na]+ 273.073338 159.4
[M-H]- 249.076844 159.9
[M+NH4]+ 268.117943 170.5
[M+K]+ 289.047278 159.0
[M+H-H2O]+ 233.081380 148.0
[M+HCOO]- 295.082321 173.9
[M+CH3COO]- 309.097971 188.1
[M+Na-2H]- 271.058786 156.0
[M]+ 250.08357142 154.5
[M]- 250.08466858 154.5
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