CID 55360

85467-80-7

Structural Information

Molecular Formula
C15H20FNO2
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN(C)C)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H20FNO2/c1-4-19-14(18)15(9-12(15)10-17(2)3)11-5-7-13(16)8-6-11/h5-8,12H,4,9-10H2,1-3H3/t12-,15+/m1/s1
InChIKey
QFVUCTGVTNQNJX-DOMZBBRYSA-N
Compound name
ethyl (1R,2S)-2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1478 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15508 157.8
[M+Na]+ 288.13702 166.3
[M-H]- 264.14052 165.5
[M+NH4]+ 283.18162 172.2
[M+K]+ 304.11096 164.6
[M+H-H2O]+ 248.14506 150.5
[M+HCOO]- 310.14600 180.6
[M+CH3COO]- 324.16165 206.3
[M+Na-2H]- 286.12247 161.0
[M]+ 265.14725 163.0
[M]- 265.14835 163.0
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.