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]+ 264.23218 167.6
[M+Na]+ 286.21412 170.2
[M-H]- 262.21762 168.0
[M+NH4]+ 281.25872 183.1
[M+K]+ 302.18806 165.8
[M+H-H2O]+ 246.22216 160.1
[M+HCOO]- 308.22310 189.2
[M+CH3COO]- 322.23875 199.8
[M+Na-2H]- 284.19957 171.3
[M]+ 263.22435 169.2
[M]- 263.22545 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.