CID 3042760

Phenol, 2-((dipentylamino)methyl)-6-methyl-

Structural Information

Molecular Formula
C18H31NO
SMILES
CCCCCN(CCCCC)CC1=CC=CC(=C1O)C
InChI
InChI=1S/C18H31NO/c1-4-6-8-13-19(14-9-7-5-2)15-17-12-10-11-16(3)18(17)20/h10-12,20H,4-9,13-15H2,1-3H3
InChIKey
HQUWDUAWOBSZLG-UHFFFAOYSA-N
Compound name
2-[(dipentylamino)methyl]-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.24057 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.24785 172.6
[M+Na]+ 300.22979 176.9
[M-H]- 276.23329 175.2
[M+NH4]+ 295.27439 188.9
[M+K]+ 316.20373 173.7
[M+H-H2O]+ 260.23783 165.2
[M+HCOO]- 322.23877 194.4
[M+CH3COO]- 336.25442 208.5
[M+Na-2H]- 298.21524 173.5
[M]+ 277.24002 176.6
[M]- 277.24112 176.6
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.