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

24
Patents

214.09938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 146.8
[M+Na]+ 237.08860 154.4
[M-H]- 213.09210 150.1
[M+NH4]+ 232.13320 165.9
[M+K]+ 253.06254 151.1
[M+H-H2O]+ 197.09664 141.3
[M+HCOO]- 259.09758 166.2
[M+CH3COO]- 273.11323 186.8
[M+Na-2H]- 235.07405 154.0
[M]+ 214.09883 146.9
[M]- 214.09993 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