CID 99579

Brn 2742608

Structural Information

Molecular Formula
C14H21NO3
SMILES
CN(CCO)CC1=C(C(=CC(=C1)CC=C)OC)O
InChI
InChI=1S/C14H21NO3/c1-4-5-11-8-12(10-15(2)6-7-16)14(17)13(9-11)18-3/h4,8-9,16-17H,1,5-7,10H2,2-3H3
InChIKey
DCAQFRVJDULYRX-UHFFFAOYSA-N
Compound name
2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methoxy-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.8
[M+Na]+ 274.14137 165.4
[M-H]- 250.14487 161.1
[M+NH4]+ 269.18597 175.6
[M+K]+ 290.11531 162.9
[M+H-H2O]+ 234.14941 152.3
[M+HCOO]- 296.15035 181.0
[M+CH3COO]- 310.16600 198.4
[M+Na-2H]- 272.12682 160.8
[M]+ 251.15160 162.0
[M]- 251.15270 162.0
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.