CID 99577

Brn 2742611

Structural Information

Molecular Formula
C14H21NO3
SMILES
COC1=CC(=CC(=C1O)CNCCCO)CC=C
InChI
InChI=1S/C14H21NO3/c1-3-5-11-8-12(10-15-6-4-7-16)14(17)13(9-11)18-2/h3,8-9,15-17H,1,4-7,10H2,2H3
InChIKey
FSSACKZVCMSZBR-UHFFFAOYSA-N
Compound name
2-[(3-hydroxypropylamino)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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.8
[M+Na]+ 274.14137 165.2
[M-H]- 250.14487 159.6
[M+NH4]+ 269.18597 174.9
[M+K]+ 290.11531 161.3
[M+H-H2O]+ 234.14941 152.4
[M+HCOO]- 296.15035 180.5
[M+CH3COO]- 310.16600 195.1
[M+Na-2H]- 272.12682 161.5
[M]+ 251.15160 160.8
[M]- 251.15270 160.8
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.