CID 112756223

(1-cyclobutylethyl)[(2,4-dimethoxyphenyl)methyl]amine

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C1CCC1)NCC2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C15H23NO2/c1-11(12-5-4-6-12)16-10-13-7-8-14(17-2)9-15(13)18-3/h7-9,11-12,16H,4-6,10H2,1-3H3
InChIKey
BKNJYJPCIHQYNG-UHFFFAOYSA-N
Compound name
1-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 158.7
[M+Na]+ 272.162098 162.3
[M-H]- 248.165604 164.6
[M+NH4]+ 267.206703 169.2
[M+K]+ 288.136038 163.7
[M+H-H2O]+ 232.170140 145.8
[M+HCOO]- 294.171081 179.8
[M+CH3COO]- 308.186731 202.4
[M+Na-2H]- 270.147546 160.8
[M]+ 249.17233142 168.6
[M]- 249.17342858 168.6
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.