CID 12760480

73723-85-0

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C(=O)COC)O
InChI
InChI=1S/C15H23NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,16-17H,8-10H2,1-3H3
InChIKey
CYGMBGZUOIIVSF-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

281.16272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 167.7
[M+Na]+ 304.15194 171.3
[M-H]- 280.15544 169.1
[M+NH4]+ 299.19654 182.3
[M+K]+ 320.12588 170.2
[M+H-H2O]+ 264.15998 160.4
[M+HCOO]- 326.16092 187.8
[M+CH3COO]- 340.17657 202.8
[M+Na-2H]- 302.13739 168.1
[M]+ 281.16217 170.6
[M]- 281.16327 170.6
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

patents stripe