CID 49380

67114-83-4

Structural Information

Molecular Formula
C16H27NO3
SMILES
CCN(CC)C(C)CC(C1=C(C=CC(=C1)OC)OC)O
InChI
InChI=1S/C16H27NO3/c1-6-17(7-2)12(3)10-15(18)14-11-13(19-4)8-9-16(14)20-5/h8-9,11-12,15,18H,6-7,10H2,1-5H3
InChIKey
KVRGFICNQYRFFG-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-(2,5-dimethoxyphenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.206376 170.1
[M+Na]+ 304.188318 174.5
[M-H]- 280.191824 173.2
[M+NH4]+ 299.232923 185.9
[M+K]+ 320.162258 174.1
[M+H-H2O]+ 264.196360 162.9
[M+HCOO]- 326.197301 190.9
[M+CH3COO]- 340.212951 208.3
[M+Na-2H]- 302.173766 169.6
[M]+ 281.19855142 175.0
[M]- 281.19964858 175.0
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.