CID 40660

Brn 2373682

Structural Information

Molecular Formula
C14H20O3
SMILES
CCCOC1=C(C=CC(=C1C(=O)O)C)C(C)C
InChI
InChI=1S/C14H20O3/c1-5-8-17-13-11(9(2)3)7-6-10(4)12(13)14(15)16/h6-7,9H,5,8H2,1-4H3,(H,15,16)
InChIKey
FUKGUAVFRQEKLQ-UHFFFAOYSA-N
Compound name
6-methyl-3-propan-2-yl-2-propoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.14125 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 154.9
[M+Na]+ 259.13047 166.4
[M+NH4]+ 254.17507 161.7
[M+K]+ 275.10441 161.2
[M-H]- 235.13397 155.6
[M+Na-2H]- 257.11592 158.9
[M]+ 236.14070 156.6
[M]- 236.14180 156.6
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.