CID 56875

Brn 2534931

Structural Information

Molecular Formula
C18H31NO2
SMILES
CCCCN(CCCC)CCOCC(C1=CC=CC=C1)O
InChI
InChI=1S/C18H31NO2/c1-3-5-12-19(13-6-4-2)14-15-21-16-18(20)17-10-8-7-9-11-17/h7-11,18,20H,3-6,12-16H2,1-2H3
InChIKey
HFQFJHMPNGIORM-UHFFFAOYSA-N
Compound name
2-[2-(dibutylamino)ethoxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.23547 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 177.2
[M+Na]+ 316.22469 179.1
[M-H]- 292.22819 178.9
[M+NH4]+ 311.26929 192.0
[M+K]+ 332.19863 176.9
[M+H-H2O]+ 276.23273 169.0
[M+HCOO]- 338.23367 198.1
[M+CH3COO]- 352.24932 208.9
[M+Na-2H]- 314.21014 178.1
[M]+ 293.23492 181.1
[M]- 293.23602 181.1
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.