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 171.4
[M+Na]+ 316.15194 175.1
[M-H]- 292.15544 172.8
[M+NH4]+ 311.19654 185.6
[M+K]+ 332.12588 173.1
[M+H-H2O]+ 276.15998 164.1
[M+HCOO]- 338.16092 191.4
[M+CH3COO]- 352.17657 203.7
[M+Na-2H]- 314.13739 171.3
[M]+ 293.16217 173.8
[M]- 293.16327 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.