CID 50369

69337-85-5

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C15H16O3/c1-15(2,14(16)17)12-6-4-11-9-13(18-3)7-5-10(11)8-12/h4-9H,1-3H3,(H,16,17)
InChIKey
IYSPYQQBEYOGFI-UHFFFAOYSA-N
Compound name
2-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

244.10994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 154.3
[M+Na]+ 267.09916 162.2
[M-H]- 243.10266 157.8
[M+NH4]+ 262.14376 172.4
[M+K]+ 283.07310 159.4
[M+H-H2O]+ 227.10720 148.6
[M+HCOO]- 289.10814 173.5
[M+CH3COO]- 303.12379 193.1
[M+Na-2H]- 265.08461 160.4
[M]+ 244.10939 156.6
[M]- 244.11049 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

literature stripe

Patent stripe

patents stripe