CID 50396

69352-83-6

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1CCN(C1)CCOC(=O)CC2C=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c17-15(13-14-7-3-1-2-4-8-14)18-12-11-16-9-5-6-10-16/h1-4,7-8,14H,5-6,9-13H2
InChIKey
MZDODYMHGKGYNN-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 156.5
[M+Na]+ 270.14645 158.9
[M-H]- 246.14995 161.6
[M+NH4]+ 265.19105 172.3
[M+K]+ 286.12039 160.2
[M+H-H2O]+ 230.15449 148.7
[M+HCOO]- 292.15543 176.0
[M+CH3COO]- 306.17108 192.9
[M+Na-2H]- 268.13190 157.9
[M]+ 247.15668 152.6
[M]- 247.15778 152.6
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.