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 156.9
[M+Na]+ 287.15302 164.7
[M-H]- 263.15652 164.0
[M+NH4]+ 282.19762 170.8
[M+K]+ 303.12696 162.0
[M+H-H2O]+ 247.16106 149.7
[M+HCOO]- 309.16200 180.0
[M+CH3COO]- 323.17765 208.5
[M+Na-2H]- 285.13847 159.6
[M]+ 264.16325 159.1
[M]- 264.16435 159.1
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.