CID 622042

3,4-dihydro-5,6,7-trimethoxy-2-naphthoic acid

Structural Information

Molecular Formula
C14H16O5
SMILES
COC1=C(C(=C2CCC(=CC2=C1)C(=O)O)OC)OC
InChI
InChI=1S/C14H16O5/c1-17-11-7-9-6-8(14(15)16)4-5-10(9)12(18-2)13(11)19-3/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKey
QJWPWKFTQLFTKD-UHFFFAOYSA-N
Compound name
5,6,7-trimethoxy-3,4-dihydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

264.09976 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10704 155.7
[M+Na]+ 287.08898 164.1
[M-H]- 263.09248 159.3
[M+NH4]+ 282.13358 173.1
[M+K]+ 303.06292 162.6
[M+H-H2O]+ 247.09702 149.5
[M+HCOO]- 309.09796 175.6
[M+CH3COO]- 323.11361 196.9
[M+Na-2H]- 285.07443 159.3
[M]+ 264.09921 160.4
[M]- 264.10031 160.4
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