CID 37858

Mp 21

Structural Information

Molecular Formula
C15H21NO3
SMILES
C1COCCN1CCOC(=O)C2C3C2C=CC=CC3
InChI
InChI=1S/C15H21NO3/c17-15(14-12-4-2-1-3-5-13(12)14)19-11-8-16-6-9-18-10-7-16/h1-4,12-14H,5-11H2
InChIKey
SKDSKDBMLUTJFW-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 155.5
[M+Na]+ 286.141348 159.9
[M-H]- 262.144854 162.5
[M+NH4]+ 281.185953 164.7
[M+K]+ 302.115288 162.1
[M+H-H2O]+ 246.149390 148.0
[M+HCOO]- 308.150331 171.2
[M+CH3COO]- 322.165981 199.3
[M+Na-2H]- 284.126796 159.8
[M]+ 263.15158142 154.3
[M]- 263.15267858 154.3
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.