CID 71685607

4-(benzyloxy)oxane-4-carboxylic acid

Structural Information

Molecular Formula
C13H16O4
SMILES
C1COCCC1(C(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H16O4/c14-12(15)13(6-8-16-9-7-13)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15)
InChIKey
OVBNUUMAZBAULI-UHFFFAOYSA-N
Compound name
4-phenylmethoxyoxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

236.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11214 153.1
[M+Na]+ 259.09408 164.3
[M+NH4]+ 254.13868 162.1
[M+K]+ 275.06802 157.1
[M-H]- 235.09758 157.0
[M+Na-2H]- 257.07953 160.6
[M]+ 236.10431 155.8
[M]- 236.10541 155.8
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