CID 3033801

105310-36-9

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H21ClN2O/c1-3-18(4-2)14(19)15(9-11(15)10-17)12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10,17H2,1-2H3/t11-,15-/m1/s1
InChIKey
VNHCUAGMTUIOAB-IAQYHMDHSA-N
Compound name
(1R,2S)-2-(aminomethyl)-1-(2-chlorophenyl)-N,N-diethylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 162.3
[M+Na]+ 303.12347 175.1
[M+NH4]+ 298.16807 172.4
[M+K]+ 319.09741 168.1
[M-H]- 279.12697 173.5
[M+Na-2H]- 301.10892 172.7
[M]+ 280.13370 168.8
[M]- 280.13480 168.8
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.