CID 3033808

105335-54-4

Structural Information

Molecular Formula
C15H21FN2O
SMILES
CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H21FN2O/c1-3-18(4-2)14(19)15(9-12(15)10-17)11-5-7-13(16)8-6-11/h5-8,12H,3-4,9-10,17H2,1-2H3/t12-,15+/m1/s1
InChIKey
AUHFIEQNBBLZGE-DOMZBBRYSA-N
Compound name
(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-(4-fluorophenyl)cyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1638 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17108 162.0
[M+Na]+ 287.15302 172.7
[M+NH4]+ 282.19762 170.8
[M+K]+ 303.12696 166.7
[M-H]- 263.15652 171.4
[M+Na-2H]- 285.13847 171.2
[M]+ 264.16325 167.2
[M]- 264.16435 167.2
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.