CID 15576108

66193-59-7

Structural Information

Molecular Formula
C12H14O2
SMILES
COC(=O)C1=CC=CC2=C1CCCC2
InChI
InChI=1S/C12H14O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3
InChIKey
SBFXBOWHTPTFTK-UHFFFAOYSA-N
Compound name
methyl 5,6,7,8-tetrahydronaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

190.09938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 140.0
[M+Na]+ 213.088598 146.5
[M-H]- 189.092104 144.1
[M+NH4]+ 208.133203 160.6
[M+K]+ 229.062538 144.4
[M+H-H2O]+ 173.096640 134.0
[M+HCOO]- 235.097581 160.3
[M+CH3COO]- 249.113231 183.0
[M+Na-2H]- 211.074046 146.0
[M]+ 190.09883142 138.7
[M]- 190.09992858 138.7
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