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]+ 280.19072 167.4
[M+Na]+ 302.17266 173.4
[M-H]- 278.17616 169.2
[M+NH4]+ 297.21726 183.1
[M+K]+ 318.14660 169.9
[M+H-H2O]+ 262.18070 160.4
[M+HCOO]- 324.18164 190.0
[M+CH3COO]- 338.19729 203.5
[M+Na-2H]- 300.15811 169.6
[M]+ 279.18289 172.0
[M]- 279.18399 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.