CID 46266

Alpha-(1-aminoethyl)-3-hydroxy-4-methylbenzyl alcohol hydrochloride

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC1=C(C=C(C=C1)C(C(C)N)O)O
InChI
InChI=1S/C10H15NO2/c1-6-3-4-8(5-9(6)12)10(13)7(2)11/h3-5,7,10,12-13H,11H2,1-2H3
InChIKey
BVZOYSUBRCMZBQ-UHFFFAOYSA-N
Compound name
5-(2-amino-1-hydroxypropyl)-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 140.3
[M+Na]+ 204.09950 150.5
[M+NH4]+ 199.14410 147.5
[M+K]+ 220.07344 146.4
[M-H]- 180.10300 141.3
[M+Na-2H]- 202.08495 144.6
[M]+ 181.10973 141.7
[M]- 181.11083 141.7
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.