CID 418991

1-(diethylamino)-3-(o-tolyloxy)-2-propanol

Structural Information

Molecular Formula
C14H23NO2
SMILES
CCN(CC)CC(COC1=CC=CC=C1C)O
InChI
InChI=1S/C14H23NO2/c1-4-15(5-2)10-13(16)11-17-14-9-7-6-8-12(14)3/h6-9,13,16H,4-5,10-11H2,1-3H3
InChIKey
WSKLHZQYDBVKLT-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-(2-methylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 158.2
[M+Na]+ 260.162098 162.9
[M-H]- 236.165604 161.3
[M+NH4]+ 255.206703 175.7
[M+K]+ 276.136038 161.8
[M+H-H2O]+ 220.170140 151.3
[M+HCOO]- 282.171081 180.6
[M+CH3COO]- 296.186731 198.1
[M+Na-2H]- 258.147546 160.8
[M]+ 237.17233142 161.2
[M]- 237.17342858 161.2
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.