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

38
Patents

206.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 143.0
[M+Na]+ 229.08352 149.7
[M-H]- 205.08702 145.9
[M+NH4]+ 224.12812 162.3
[M+K]+ 245.05746 147.4
[M+H-H2O]+ 189.09156 137.2
[M+HCOO]- 251.09250 161.8
[M+CH3COO]- 265.10815 184.3
[M+Na-2H]- 227.06897 147.9
[M]+ 206.09375 141.8
[M]- 206.09485 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