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]+ 217.122316 148.6
[M+Na]+ 239.104258 157.9
[M-H]- 215.107764 154.4
[M+NH4]+ 234.148863 164.6
[M+K]+ 255.078198 154.1
[M+H-H2O]+ 199.112300 142.2
[M+HCOO]- 261.113241 167.9
[M+CH3COO]- 275.128891 193.2
[M+Na-2H]- 237.089706 154.5
[M]+ 216.11449142 152.0
[M]- 216.11558858 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