CID 598088

2-methyl-2-(naphthalen-1-yl)propanoic acid

Structural Information

Molecular Formula
C14H14O2
SMILES
CC(C)(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C14H14O2/c1-14(2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)
InChIKey
GCOOBWJNMRZHBR-UHFFFAOYSA-N
Compound name
2-methyl-2-naphthalen-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

214.09938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 146.8
[M+Na]+ 237.088598 154.4
[M-H]- 213.092104 150.1
[M+NH4]+ 232.133203 165.9
[M+K]+ 253.062538 151.1
[M+H-H2O]+ 197.096640 141.3
[M+HCOO]- 259.097581 166.2
[M+CH3COO]- 273.113231 186.8
[M+Na-2H]- 235.074046 154.0
[M]+ 214.09883142 146.9
[M]- 214.09992858 146.9
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