CID 60162

Alpha-(p-aminophenyl)-beta-butylmethylaminoethanol

Structural Information

Molecular Formula
C13H22N2O
SMILES
CCCCN(C)CC(C1=CC=C(C=C1)N)O
InChI
InChI=1S/C13H22N2O/c1-3-4-9-15(2)10-13(16)11-5-7-12(14)8-6-11/h5-8,13,16H,3-4,9-10,14H2,1-2H3
InChIKey
CYNMTUUSCSJXOX-UHFFFAOYSA-N
Compound name
1-(4-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 155.0
[M+Na]+ 245.16244 159.3
[M-H]- 221.16594 157.6
[M+NH4]+ 240.20704 172.5
[M+K]+ 261.13638 157.5
[M+H-H2O]+ 205.17048 148.0
[M+HCOO]- 267.17142 177.8
[M+CH3COO]- 281.18707 197.5
[M+Na-2H]- 243.14789 157.2
[M]+ 222.17267 154.3
[M]- 222.17377 154.3
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.