CID 46264

(+-)-alpha-(1-(dibutylamino)propyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C18H31NO
SMILES
CCCCN(CCCC)C(CC)C(C1=CC=CC=C1)O
InChI
InChI=1S/C18H31NO/c1-4-7-14-19(15-8-5-2)17(6-3)18(20)16-12-10-9-11-13-16/h9-13,17-18,20H,4-8,14-15H2,1-3H3
InChIKey
FMFHFDJIEGLAIX-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-1-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.24057 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.24785 174.6
[M+Na]+ 300.22979 176.4
[M-H]- 276.23329 176.5
[M+NH4]+ 295.27439 190.1
[M+K]+ 316.20373 174.2
[M+H-H2O]+ 260.23783 166.9
[M+HCOO]- 322.23877 194.3
[M+CH3COO]- 336.25442 207.8
[M+Na-2H]- 298.21524 174.3
[M]+ 277.24002 176.5
[M]- 277.24112 176.5
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.