CID 15506649

Ethyl 1a,2,3,7b-tetrahydro-1h-cyclopropa[a]naphthalene-1-carboxylate

Structural Information

Molecular Formula
C14H16O2
SMILES
CCOC(=O)C1C2C1C3=CC=CC=C3CC2
InChI
InChI=1S/C14H16O2/c1-2-16-14(15)13-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-6,11-13H,2,7-8H2,1H3
InChIKey
XDYQDLVZJKAJBM-UHFFFAOYSA-N
Compound name
ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

216.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 148.6
[M+Na]+ 239.10426 157.9
[M-H]- 215.10776 154.4
[M+NH4]+ 234.14886 164.6
[M+K]+ 255.07820 154.1
[M+H-H2O]+ 199.11230 142.2
[M+HCOO]- 261.11324 167.9
[M+CH3COO]- 275.12889 193.2
[M+Na-2H]- 237.08971 154.5
[M]+ 216.11449 152.0
[M]- 216.11559 152.0
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