CID 168028

Alpha-ethyl-3-hydroxy-4-methylphenethylamine hydrochloride

Structural Information

Molecular Formula
C11H17NO
SMILES
CCC(CC1=CC(=C(C=C1)C)O)N
InChI
InChI=1S/C11H17NO/c1-3-10(12)6-9-5-4-8(2)11(13)7-9/h4-5,7,10,13H,3,6,12H2,1-2H3
InChIKey
ZPDWHORJHVKVPL-UHFFFAOYSA-N
Compound name
5-(2-aminobutyl)-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

34
Patents

179.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.4
[M+Na]+ 202.120228 148.3
[M-H]- 178.123734 143.4
[M+NH4]+ 197.164833 160.7
[M+K]+ 218.094168 145.6
[M+H-H2O]+ 162.128270 135.8
[M+HCOO]- 224.129211 163.4
[M+CH3COO]- 238.144861 184.1
[M+Na-2H]- 200.105676 144.5
[M]+ 179.13046142 139.9
[M]- 179.13155858 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe