CID 13040896

Kkw5e9ue22

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)/C=C/C(=O)OC)O
InChI
InChI=1S/C16H23NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-9,12,14,17-18H,10-11H2,1-3H3/b9-6+
InChIKey
JWJTVAMSXKPSHS-RMKNXTFCSA-N
Compound name
methyl (E)-3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.16272 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 171.4
[M+Na]+ 316.151938 175.1
[M-H]- 292.155444 172.8
[M+NH4]+ 311.196543 185.6
[M+K]+ 332.125878 173.1
[M+H-H2O]+ 276.159980 164.1
[M+HCOO]- 338.160921 191.4
[M+CH3COO]- 352.176571 203.7
[M+Na-2H]- 314.137386 171.3
[M]+ 293.16217142 173.8
[M]- 293.16326858 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.