CID 44629746

8-benzylamino-1-octanol

Structural Information

Molecular Formula
C15H25NO
SMILES
C1=CC=C(C=C1)CNCCCCCCCCO
InChI
InChI=1S/C15H25NO/c17-13-9-4-2-1-3-8-12-16-14-15-10-6-5-7-11-15/h5-7,10-11,16-17H,1-4,8-9,12-14H2
InChIKey
IBPIDYZSOUSSOS-UHFFFAOYSA-N
Compound name
8-(benzylamino)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.19362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 158.7
[M+Na]+ 258.18284 162.1
[M-H]- 234.18634 159.5
[M+NH4]+ 253.22744 175.4
[M+K]+ 274.15678 158.2
[M+H-H2O]+ 218.19088 151.5
[M+HCOO]- 280.19182 181.0
[M+CH3COO]- 294.20747 193.7
[M+Na-2H]- 256.16829 163.4
[M]+ 235.19307 159.5
[M]- 235.19417 159.5
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.