CID 59937

105310-39-2

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(10-14(16)11-17)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,17H2,1-3H3/t14-,16+/m1/s1
InChIKey
FWSXXKQITHMJAY-ZBFHGGJFSA-N
Compound name
(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 159.5
[M+Na]+ 283.17809 167.0
[M-H]- 259.18159 167.9
[M+NH4]+ 278.22269 173.7
[M+K]+ 299.15203 164.6
[M+H-H2O]+ 243.18613 153.3
[M+HCOO]- 305.18707 183.4
[M+CH3COO]- 319.20272 208.8
[M+Na-2H]- 281.16354 162.3
[M]+ 260.18832 163.3
[M]- 260.18942 163.3
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.