CID 3033805

105310-43-8

Structural Information

Molecular Formula
C19H30N2O
SMILES
CCCCN(CCCC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2
InChI
InChI=1S/C19H30N2O/c1-3-5-12-21(13-6-4-2)18(22)19(14-17(19)15-20)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15,20H2,1-2H3/t17-,19+/m1/s1
InChIKey
WAYQJEFKYGUQDL-MJGOQNOKSA-N
Compound name
(1R,2S)-2-(aminomethyl)-N,N-dibutyl-1-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2358 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24308 172.4
[M+Na]+ 325.22502 177.7
[M-H]- 301.22852 179.8
[M+NH4]+ 320.26962 184.6
[M+K]+ 341.19896 174.7
[M+H-H2O]+ 285.23306 165.3
[M+HCOO]- 347.23400 195.3
[M+CH3COO]- 361.24965 216.2
[M+Na-2H]- 323.21047 174.3
[M]+ 302.23525 176.7
[M]- 302.23635 176.7
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.