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]+ 264.159406 157.8
[M+Na]+ 286.141348 159.4
[M-H]- 262.144854 163.1
[M+NH4]+ 281.185953 169.9
[M+K]+ 302.115288 162.7
[M+H-H2O]+ 246.149390 149.7
[M+HCOO]- 308.150331 174.6
[M+CH3COO]- 322.165981 195.2
[M+Na-2H]- 284.126796 161.7
[M]+ 263.15158142 153.8
[M]- 263.15267858 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.