CID 3024727

Brn 2726298

Structural Information

Molecular Formula
C15H25NO
SMILES
CCN(CC)CC(CC1=C(C=CC=C1C)C)O
InChI
InChI=1S/C15H25NO/c1-5-16(6-2)11-14(17)10-15-12(3)8-7-9-13(15)4/h7-9,14,17H,5-6,10-11H2,1-4H3
InChIKey
BDVIIWIZJGGFNX-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.19362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 159.0
[M+Na]+ 258.18284 164.4
[M-H]- 234.18634 162.3
[M+NH4]+ 253.22744 177.1
[M+K]+ 274.15678 162.5
[M+H-H2O]+ 218.19088 152.4
[M+HCOO]- 280.19182 180.8
[M+CH3COO]- 294.20747 200.3
[M+Na-2H]- 256.16829 160.4
[M]+ 235.19307 161.3
[M]- 235.19417 161.3
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.