CID 60163

Alpha-(m-aminophenyl)-beta-butylmethylaminoethanol

Structural Information

Molecular Formula
C13H22N2O
SMILES
CCCCN(C)CC(C1=CC(=CC=C1)N)O
InChI
InChI=1S/C13H22N2O/c1-3-4-8-15(2)10-13(16)11-6-5-7-12(14)9-11/h5-7,9,13,16H,3-4,8,10,14H2,1-2H3
InChIKey
LXBPQXGHDDJXAQ-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-2-[butyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 154.4
[M+Na]+ 245.16244 163.8
[M+NH4]+ 240.20704 161.9
[M+K]+ 261.13638 158.1
[M-H]- 221.16594 157.0
[M+Na-2H]- 243.14789 159.5
[M]+ 222.17267 156.2
[M]- 222.17377 156.2
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.