CID 50388

69352-79-0

Structural Information

Molecular Formula
C15H21NO3
SMILES
C1COCCN1CCOC(=O)CC2C=CC=CC=C2
InChI
InChI=1S/C15H21NO3/c17-15(13-14-5-3-1-2-4-6-14)19-12-9-16-7-10-18-11-8-16/h1-6,14H,7-13H2
InChIKey
ZDHZGWWCXUCOIE-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 157.8
[M+Na]+ 286.14135 159.4
[M-H]- 262.14485 163.1
[M+NH4]+ 281.18595 169.9
[M+K]+ 302.11529 162.7
[M+H-H2O]+ 246.14939 149.7
[M+HCOO]- 308.15033 174.6
[M+CH3COO]- 322.16598 195.2
[M+Na-2H]- 284.12680 161.7
[M]+ 263.15158 153.8
[M]- 263.15268 153.8
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.