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

0
Patents

235.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 151.9
[M+Na]+ 258.14645 156.3
[M-H]- 234.14995 158.0
[M+NH4]+ 253.19105 163.1
[M+K]+ 274.12039 157.4
[M+H-H2O]+ 218.15449 139.3
[M+HCOO]- 280.15543 174.4
[M+CH3COO]- 294.17108 198.6
[M+Na-2H]- 256.13190 156.0
[M]+ 235.15668 162.1
[M]- 235.15778 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

No patent data available for this compound.