CID 99580

54219-83-9

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCOCCCNCC1=C(C(=CC(=C1)CC=C)OC)O
InChI
InChI=1S/C16H25NO3/c1-4-7-13-10-14(16(18)15(11-13)19-3)12-17-8-6-9-20-5-2/h4,10-11,17-18H,1,5-9,12H2,2-3H3
InChIKey
FBKZHZRGZQWTHE-UHFFFAOYSA-N
Compound name
2-[(3-ethoxypropylamino)methyl]-6-methoxy-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 167.4
[M+Na]+ 302.172658 173.4
[M-H]- 278.176164 169.2
[M+NH4]+ 297.217263 183.1
[M+K]+ 318.146598 169.9
[M+H-H2O]+ 262.180700 160.4
[M+HCOO]- 324.181641 190.0
[M+CH3COO]- 338.197291 203.5
[M+Na-2H]- 300.158106 169.6
[M]+ 279.18289142 172.0
[M]- 279.18398858 172.0
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.