CID 60676349

1282052-33-8

Structural Information

Molecular Formula
C14H18O4
SMILES
CC1=CC(=C(C=C1)C(=O)O)OCC2CCCCO2
InChI
InChI=1S/C14H18O4/c1-10-5-6-12(14(15)16)13(8-10)18-9-11-4-2-3-7-17-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,15,16)
InChIKey
ZCEDENINMACMGC-UHFFFAOYSA-N
Compound name
4-methyl-2-(oxan-2-ylmethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12779 156.1
[M+Na]+ 273.10973 161.0
[M-H]- 249.11323 161.5
[M+NH4]+ 268.15433 170.9
[M+K]+ 289.08367 160.0
[M+H-H2O]+ 233.11777 149.0
[M+HCOO]- 295.11871 173.8
[M+CH3COO]- 309.13436 191.2
[M+Na-2H]- 271.09518 159.1
[M]+ 250.11996 154.9
[M]- 250.12106 154.9
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.