CID 29311

Bs-39

Structural Information

Molecular Formula
C17H29NO
SMILES
CCCCC(CC)CNC(C)C(C1=CC=CC=C1)O
InChI
InChI=1S/C17H29NO/c1-4-6-10-15(5-2)13-18-14(3)17(19)16-11-8-7-9-12-16/h7-9,11-12,14-15,17-19H,4-6,10,13H2,1-3H3
InChIKey
JHJJOMIPXHXMFF-UHFFFAOYSA-N
Compound name
2-(2-ethylhexylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.2249 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.232176 170.2
[M+Na]+ 286.214118 172.0
[M-H]- 262.217624 170.9
[M+NH4]+ 281.258723 185.5
[M+K]+ 302.188058 169.1
[M+H-H2O]+ 246.222160 162.9
[M+HCOO]- 308.223101 188.7
[M+CH3COO]- 322.238751 202.3
[M+Na-2H]- 284.199566 169.9
[M]+ 263.22435142 169.8
[M]- 263.22544858 169.8
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.