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]+ 296.16451 167.0
[M+Na]+ 318.14645 173.3
[M-H]- 294.14995 176.6
[M+NH4]+ 313.19105 178.6
[M+K]+ 334.12039 169.9
[M+H-H2O]+ 278.15449 159.1
[M+HCOO]- 340.15543 190.9
[M+CH3COO]- 354.17108 205.7
[M+Na-2H]- 316.13190 173.2
[M]+ 295.15668 170.0
[M]- 295.15778 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.