CID 11288106

23985-75-3

Structural Information

Molecular Formula
C14H16O4
SMILES
COC(=O)C1CCC2=C(C1)C=CC(=C2)C(=O)OC
InChI
InChI=1S/C14H16O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3,5,7,12H,4,6,8H2,1-2H3
InChIKey
IGFALCDVZUTCGJ-UHFFFAOYSA-N
Compound name
dimethyl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

145
Patents

248.10486 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11214 153.6
[M+Na]+ 271.09408 160.0
[M-H]- 247.09758 157.7
[M+NH4]+ 266.13868 171.9
[M+K]+ 287.06802 158.6
[M+H-H2O]+ 231.10212 147.3
[M+HCOO]- 293.10306 172.8
[M+CH3COO]- 307.11871 193.8
[M+Na-2H]- 269.07953 156.8
[M]+ 248.10431 155.0
[M]- 248.10541 155.0
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