CID 27926

Bs-37

Structural Information

Molecular Formula
C15H25NO
SMILES
CCC(CC)CNC(C)C(C1=CC=CC=C1)O
InChI
InChI=1S/C15H25NO/c1-4-13(5-2)11-16-12(3)15(17)14-9-7-6-8-10-14/h6-10,12-13,15-17H,4-5,11H2,1-3H3
InChIKey
LIYHGFGAJDBPGA-UHFFFAOYSA-N
Compound name
2-(2-ethylbutylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.19362 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 161.0
[M+Na]+ 258.18284 163.6
[M-H]- 234.18634 162.1
[M+NH4]+ 253.22744 177.4
[M+K]+ 274.15678 161.3
[M+H-H2O]+ 218.19088 154.2
[M+HCOO]- 280.19182 180.2
[M+CH3COO]- 294.20747 196.3
[M+Na-2H]- 256.16829 161.8
[M]+ 235.19307 159.9
[M]- 235.19417 159.9
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.