CID 3043768

1-(m-acetylphenoxy)-3-isopropylaminopropan-2-ol hydrochloride

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)NCC(COC1=CC=CC(=C1)C(=O)C)O
InChI
InChI=1S/C14H21NO3/c1-10(2)15-8-13(17)9-18-14-6-4-5-12(7-14)11(3)16/h4-7,10,13,15,17H,8-9H2,1-3H3
InChIKey
RXLQJGWGJKESTF-UHFFFAOYSA-N
Compound name
1-[3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 160.4
[M+Na]+ 274.14137 164.6
[M-H]- 250.14487 162.1
[M+NH4]+ 269.18597 176.3
[M+K]+ 290.11531 163.1
[M+H-H2O]+ 234.14941 153.6
[M+HCOO]- 296.15035 180.6
[M+CH3COO]- 310.16600 197.7
[M+Na-2H]- 272.12682 161.2
[M]+ 251.15160 161.5
[M]- 251.15270 161.5
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

No patent data available for this compound.