CID 11600901

Methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate

Structural Information

Molecular Formula
C12H14O3
SMILES
COC(=O)C1=C(C=CC2=C1CCCC2)O
InChI
InChI=1S/C12H14O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h6-7,13H,2-5H2,1H3
InChIKey
FGZPUQMMDVJQQN-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

206.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 143.2
[M+Na]+ 229.08352 150.0
[M-H]- 205.08702 146.2
[M+NH4]+ 224.12812 162.6
[M+K]+ 245.05746 147.7
[M+H-H2O]+ 189.09156 137.5
[M+HCOO]- 251.09250 162.1
[M+CH3COO]- 265.10815 183.7
[M+Na-2H]- 227.06897 148.1
[M]+ 206.09375 141.9
[M]- 206.09485 141.9
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