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]+ 294.17000 171.0
[M+Na]+ 316.15194 179.2
[M+NH4]+ 311.19654 175.9
[M+K]+ 332.12588 174.8
[M-H]- 292.15544 170.6
[M+Na-2H]- 314.13739 173.6
[M]+ 293.16217 171.6
[M]- 293.16327 171.6
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.