CID 43298543

(cyclobutylmethyl)[(2,4-dimethoxyphenyl)methyl]amine

Structural Information

Molecular Formula
C14H21NO2
SMILES
COC1=CC(=C(C=C1)CNCC2CCC2)OC
InChI
InChI=1S/C14H21NO2/c1-16-13-7-6-12(14(8-13)17-2)10-15-9-11-4-3-5-11/h6-8,11,15H,3-5,9-10H2,1-2H3
InChIKey
AWEOTOFAOVCVJQ-UHFFFAOYSA-N
Compound name
1-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 151.9
[M+Na]+ 258.146448 156.3
[M-H]- 234.149954 158.0
[M+NH4]+ 253.191053 163.1
[M+K]+ 274.120388 157.4
[M+H-H2O]+ 218.154490 139.3
[M+HCOO]- 280.155431 174.4
[M+CH3COO]- 294.171081 198.6
[M+Na-2H]- 256.131896 156.0
[M]+ 235.15668142 162.1
[M]- 235.15777858 162.1
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

patents stripe