CID 16227979

3-(oxolan-2-ylmethoxy)benzoic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
C1CC(OC1)COC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C12H14O4/c13-12(14)9-3-1-4-10(7-9)16-8-11-5-2-6-15-11/h1,3-4,7,11H,2,5-6,8H2,(H,13,14)
InChIKey
PTDDXWIOXRBSEF-UHFFFAOYSA-N
Compound name
3-(oxolan-2-ylmethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.5
[M+Na]+ 245.07842 153.2
[M-H]- 221.08192 153.2
[M+NH4]+ 240.12302 165.1
[M+K]+ 261.05236 152.5
[M+H-H2O]+ 205.08646 141.3
[M+HCOO]- 267.08740 168.1
[M+CH3COO]- 281.10305 183.4
[M+Na-2H]- 243.06387 150.8
[M]+ 222.08865 147.4
[M]- 222.08975 147.4
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.