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]+ 250.18016 158.7
[M+Na]+ 272.16210 162.3
[M-H]- 248.16560 164.6
[M+NH4]+ 267.20670 169.2
[M+K]+ 288.13604 163.7
[M+H-H2O]+ 232.17014 145.8
[M+HCOO]- 294.17108 179.8
[M+CH3COO]- 308.18673 202.4
[M+Na-2H]- 270.14755 160.8
[M]+ 249.17233 168.6
[M]- 249.17343 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.