CID 737159

2-methyl-2-(2-naphthyloxy)propanoic acid

Structural Information

Molecular Formula
C14H14O3
SMILES
CC(C)(C(=O)O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H14O3/c1-14(2,13(15)16)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3,(H,15,16)
InChIKey
RVAWSQIHNATWNO-UHFFFAOYSA-N
Compound name
2-methyl-2-naphthalen-2-yloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

230.0943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10158 150.1
[M+Na]+ 253.08352 157.6
[M-H]- 229.08702 153.4
[M+NH4]+ 248.12812 168.5
[M+K]+ 269.05746 154.9
[M+H-H2O]+ 213.09156 144.4
[M+HCOO]- 275.09250 169.7
[M+CH3COO]- 289.10815 188.8
[M+Na-2H]- 251.06897 157.4
[M]+ 230.09375 151.7
[M]- 230.09485 151.7
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