CID 50986570

2-methyl-2-[4-(2-methylpropoxy)phenyl]propanoic acid

Structural Information

Molecular Formula
C14H20O3
SMILES
CC(C)COC1=CC=C(C=C1)C(C)(C)C(=O)O
InChI
InChI=1S/C14H20O3/c1-10(2)9-17-12-7-5-11(6-8-12)14(3,4)13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKey
FDTFWXQBGIXJEW-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-(2-methylpropoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

236.14125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 154.7
[M+Na]+ 259.13047 160.6
[M-H]- 235.13397 156.9
[M+NH4]+ 254.17507 171.9
[M+K]+ 275.10441 159.1
[M+H-H2O]+ 219.13851 149.2
[M+HCOO]- 281.13945 173.5
[M+CH3COO]- 295.15510 192.2
[M+Na-2H]- 257.11592 157.5
[M]+ 236.14070 156.9
[M]- 236.14180 156.9
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

patents stripe