CID 3033710

85467-19-2

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CNC)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-3-17-13(16)14(9-12(14)10-15-2)11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3/t12-,14+/m1/s1
InChIKey
VOJXYABPWUYFAV-OCCSQVGLSA-N
Compound name
ethyl (1R,2S)-2-(methylaminomethyl)-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.3
[M+Na]+ 256.13081 160.3
[M-H]- 232.13431 159.8
[M+NH4]+ 251.17541 167.1
[M+K]+ 272.10475 158.0
[M+H-H2O]+ 216.13885 146.1
[M+HCOO]- 278.13979 176.1
[M+CH3COO]- 292.15544 196.5
[M+Na-2H]- 254.11626 157.9
[M]+ 233.14104 156.7
[M]- 233.14214 156.7
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.