CID 44629747

10-benzylamino-1-decanol

Structural Information

Molecular Formula
C17H29NO
SMILES
C1=CC=C(C=C1)CNCCCCCCCCCCO
InChI
InChI=1S/C17H29NO/c19-15-11-6-4-2-1-3-5-10-14-18-16-17-12-8-7-9-13-17/h7-9,12-13,18-19H,1-6,10-11,14-16H2
InChIKey
PZKWYQBXXXKOOF-UHFFFAOYSA-N
Compound name
10-(benzylamino)decan-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 167.6
[M+Na]+ 286.214118 170.2
[M-H]- 262.217624 168.0
[M+NH4]+ 281.258723 183.1
[M+K]+ 302.188058 165.8
[M+H-H2O]+ 246.222160 160.1
[M+HCOO]- 308.223101 189.2
[M+CH3COO]- 322.238751 199.8
[M+Na-2H]- 284.199566 171.3
[M]+ 263.22435142 169.2
[M]- 263.22544858 169.2
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.