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]+ 264.23218 170.2
[M+Na]+ 286.21412 172.0
[M-H]- 262.21762 170.9
[M+NH4]+ 281.25872 185.5
[M+K]+ 302.18806 169.1
[M+H-H2O]+ 246.22216 162.9
[M+HCOO]- 308.22310 188.7
[M+CH3COO]- 322.23875 202.3
[M+Na-2H]- 284.19957 169.9
[M]+ 263.22435 169.8
[M]- 263.22545 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.