CID 49710

67239-17-2

Structural Information

Molecular Formula
C19H21NO2
SMILES
C1CC1(C2=CC=CC=C2)C(=O)OCCNCC3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c21-18(19(11-12-19)17-9-5-2-6-10-17)22-14-13-20-15-16-7-3-1-4-8-16/h1-10,20H,11-15H2
InChIKey
UIXSVOKNHHJNNG-UHFFFAOYSA-N
Compound name
2-(benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 167.0
[M+Na]+ 318.146448 173.3
[M-H]- 294.149954 176.6
[M+NH4]+ 313.191053 178.6
[M+K]+ 334.120388 169.9
[M+H-H2O]+ 278.154490 159.1
[M+HCOO]- 340.155431 190.9
[M+CH3COO]- 354.171081 205.7
[M+Na-2H]- 316.131896 173.2
[M]+ 295.15668142 170.0
[M]- 295.15777858 170.0
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.