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]+ 238.18016 158.2
[M+Na]+ 260.16210 162.9
[M-H]- 236.16560 161.3
[M+NH4]+ 255.20670 175.7
[M+K]+ 276.13604 161.8
[M+H-H2O]+ 220.17014 151.3
[M+HCOO]- 282.17108 180.6
[M+CH3COO]- 296.18673 198.1
[M+Na-2H]- 258.14755 160.8
[M]+ 237.17233 161.2
[M]- 237.17343 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.