CID 108471

60533-05-3

Structural Information

Molecular Formula
C18H20O3
SMILES
CC=C(C1=CC2=C(C=C1)C=C(C=C2)OC)C(C)(C)C(=O)O
InChI
InChI=1S/C18H20O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h5-11H,1-4H3,(H,19,20)
InChIKey
ARMLYYXIJXARED-UHFFFAOYSA-N
Compound name
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.148516 166.6
[M+Na]+ 307.130458 173.3
[M-H]- 283.133964 169.7
[M+NH4]+ 302.175063 183.0
[M+K]+ 323.104398 169.7
[M+H-H2O]+ 267.138500 160.6
[M+HCOO]- 329.139441 184.0
[M+CH3COO]- 343.155091 201.5
[M+Na-2H]- 305.115906 170.0
[M]+ 284.14069142 168.6
[M]- 284.14178858 168.6
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

No patent data available for this compound.