CID 57845

3-allyl-6-(2-(dimethylamino)ethoxy)-5-methoxybenzylamine

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CN(C)CCOC1=C(C=C(C=C1OC)CC=C)CN
InChI
InChI=1S/C15H24N2O2/c1-5-6-12-9-13(11-16)15(14(10-12)18-4)19-8-7-17(2)3/h5,9-10H,1,6-8,11,16H2,2-4H3
InChIKey
FHKTWPDDTIABFM-UHFFFAOYSA-N
Compound name
2-[2-(aminomethyl)-6-methoxy-4-prop-2-enylphenoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 164.5
[M+Na]+ 287.17300 170.7
[M-H]- 263.17650 168.8
[M+NH4]+ 282.21760 181.5
[M+K]+ 303.14694 168.8
[M+H-H2O]+ 247.18104 157.0
[M+HCOO]- 309.18198 189.5
[M+CH3COO]- 323.19763 208.8
[M+Na-2H]- 285.15845 166.1
[M]+ 264.18323 168.6
[M]- 264.18433 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.