CID 60258

108621-85-8

Structural Information

Molecular Formula
C14H24N2O
SMILES
CCCCCN(C)CC(C1=CC(=CC=C1)N)O
InChI
InChI=1S/C14H24N2O/c1-3-4-5-9-16(2)11-14(17)12-7-6-8-13(15)10-12/h6-8,10,14,17H,3-5,9,11,15H2,1-2H3
InChIKey
MXUBNUMMIHAQBF-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-2-[methyl(pentyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.18886 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.196136 159.6
[M+Na]+ 259.178078 163.5
[M-H]- 235.181584 162.0
[M+NH4]+ 254.222683 176.5
[M+K]+ 275.152018 161.4
[M+H-H2O]+ 219.186120 152.3
[M+HCOO]- 281.187061 182.1
[M+CH3COO]- 295.202711 200.5
[M+Na-2H]- 257.163526 161.3
[M]+ 236.18831142 159.3
[M]- 236.18940858 159.3
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.