CID 12790794

6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
COC1=CC2=C(C=C1)C(CCC2)C(=O)O
InChI
InChI=1S/C12H14O3/c1-15-9-5-6-10-8(7-9)3-2-4-11(10)12(13)14/h5-7,11H,2-4H2,1H3,(H,13,14)
InChIKey
WDLWRQYLECGUNU-UHFFFAOYSA-N
Compound name
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

206.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.101576 143.0
[M+Na]+ 229.083518 149.7
[M-H]- 205.087024 145.9
[M+NH4]+ 224.128123 162.3
[M+K]+ 245.057458 147.4
[M+H-H2O]+ 189.091560 137.2
[M+HCOO]- 251.092501 161.8
[M+CH3COO]- 265.108151 184.3
[M+Na-2H]- 227.068966 147.9
[M]+ 206.09375142 141.8
[M]- 206.09484858 141.8
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