CID 99576

Brn 2747933

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCOCCNCC1=C(C(=CC(=C1)CC=C)OC)O
InChI
InChI=1S/C15H23NO3/c1-4-6-12-9-13(11-16-7-8-19-5-2)15(17)14(10-12)18-3/h4,9-10,16-17H,1,5-8,11H2,2-3H3
InChIKey
QJDHCSBDIDILIC-UHFFFAOYSA-N
Compound name
2-[(2-ethoxyethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 162.9
[M+Na]+ 288.15702 169.3
[M-H]- 264.16052 164.9
[M+NH4]+ 283.20162 179.1
[M+K]+ 304.13096 166.0
[M+H-H2O]+ 248.16506 156.1
[M+HCOO]- 310.16600 185.8
[M+CH3COO]- 324.18165 200.5
[M+Na-2H]- 286.14247 165.6
[M]+ 265.16725 167.1
[M]- 265.16835 167.1
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.