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]+ 250.18016 150.3
[M+Na]+ 272.16210 155.4
[M-H]- 248.16560 157.3
[M+NH4]+ 267.20670 163.4
[M+K]+ 288.13604 157.7
[M+H-H2O]+ 232.17014 144.6
[M+HCOO]- 294.17108 171.9
[M+CH3COO]- 308.18673 205.4
[M+Na-2H]- 270.14755 154.4
[M]+ 249.17233 153.7
[M]- 249.17343 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.