CID 54457465

Salbutamol acetate

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(=O)OCC1=C(C=CC(=C1)C(CNC(C)(C)C)O)O
InChI
InChI=1S/C15H23NO4/c1-10(17)20-9-12-7-11(5-6-13(12)18)14(19)8-16-15(2,3)4/h5-7,14,16,18-19H,8-9H2,1-4H3
InChIKey
WZFWQUNNFLNQDS-UHFFFAOYSA-N
Compound name
[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

281.16272 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 167.0
[M+Na]+ 304.15194 175.3
[M+NH4]+ 299.19654 171.9
[M+K]+ 320.12588 172.2
[M-H]- 280.15544 166.1
[M+Na-2H]- 302.13739 169.5
[M]+ 281.16217 167.6
[M]- 281.16327 167.6
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