CID 37860

Mp 22

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1CCN(C1)CCOC(=O)C2C3C2C=CC=CC3
InChI
InChI=1S/C15H21NO2/c17-15(18-11-10-16-8-4-5-9-16)14-12-6-2-1-3-7-13(12)14/h1-3,6,12-14H,4-5,7-11H2
InChIKey
ZSBCQXMLWOKAPU-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-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

247.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 153.0
[M+Na]+ 270.146448 158.1
[M-H]- 246.149954 159.7
[M+NH4]+ 265.191053 165.6
[M+K]+ 286.120388 157.9
[M+H-H2O]+ 230.154490 146.2
[M+HCOO]- 292.155431 171.1
[M+CH3COO]- 306.171081 197.0
[M+Na-2H]- 268.131896 155.0
[M]+ 247.15668142 151.8
[M]- 247.15777858 151.8
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.