CID 37856

Mp 19

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCN(CC)CCOC(=O)C1C2C1C=CC=CC2
InChI
InChI=1S/C15H23NO2/c1-3-16(4-2)10-11-18-15(17)14-12-8-6-5-7-9-13(12)14/h5-8,12-14H,3-4,9-11H2,1-2H3
InChIKey
WHXXCSVJCQXIBI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 150.3
[M+Na]+ 272.162098 155.4
[M-H]- 248.165604 157.3
[M+NH4]+ 267.206703 163.4
[M+K]+ 288.136038 157.7
[M+H-H2O]+ 232.170140 144.6
[M+HCOO]- 294.171081 171.9
[M+CH3COO]- 308.186731 205.4
[M+Na-2H]- 270.147546 154.4
[M]+ 249.17233142 153.7
[M]- 249.17342858 153.7
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

No patent data available for this compound.