CID 30295

Benzyl alcohol, 6-(2-(diethylamino)ethoxy)-alpha-propyl-, hydrochloride

Structural Information

Molecular Formula
C16H27NO2
SMILES
CCCC(C1=CC=CC=C1OCCN(CC)CC)O
InChI
InChI=1S/C16H27NO2/c1-4-9-15(18)14-10-7-8-11-16(14)19-13-12-17(5-2)6-3/h7-8,10-11,15,18H,4-6,9,12-13H2,1-3H3
InChIKey
YFHDAZIANBGJRF-UHFFFAOYSA-N
Compound name
1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.2042 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.21148 167.5
[M+Na]+ 288.19342 171.4
[M-H]- 264.19692 170.2
[M+NH4]+ 283.23802 183.9
[M+K]+ 304.16736 169.7
[M+H-H2O]+ 248.20146 160.1
[M+HCOO]- 310.20240 189.2
[M+CH3COO]- 324.21805 204.1
[M+Na-2H]- 286.17887 169.0
[M]+ 265.20365 171.2
[M]- 265.20475 171.2
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.