CID 60257

Alpha-(p-aminophenyl)-beta-methylpentylaminoethanol

Structural Information

Molecular Formula
C14H24N2O
SMILES
CCCCCN(C)CC(C1=CC=C(C=C1)N)O
InChI
InChI=1S/C14H24N2O/c1-3-4-5-10-16(2)11-14(17)12-6-8-13(15)9-7-12/h6-9,14,17H,3-5,10-11,15H2,1-2H3
InChIKey
YBDHLZHWARLIGY-UHFFFAOYSA-N
Compound name
1-(4-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]+ 237.19614 159.6
[M+Na]+ 259.17808 163.5
[M-H]- 235.18158 162.0
[M+NH4]+ 254.22268 176.5
[M+K]+ 275.15202 161.4
[M+H-H2O]+ 219.18612 152.3
[M+HCOO]- 281.18706 182.1
[M+CH3COO]- 295.20271 200.5
[M+Na-2H]- 257.16353 161.3
[M]+ 236.18831 159.3
[M]- 236.18941 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.