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]+ 264.15941 155.5
[M+Na]+ 286.14135 159.9
[M-H]- 262.14485 162.5
[M+NH4]+ 281.18595 164.7
[M+K]+ 302.11529 162.1
[M+H-H2O]+ 246.14939 148.0
[M+HCOO]- 308.15033 171.2
[M+CH3COO]- 322.16598 199.3
[M+Na-2H]- 284.12680 159.8
[M]+ 263.15158 154.3
[M]- 263.15268 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.