CID 2770884

1-amino-3-(4-ethylphenoxy)propan-2-ol

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCC1=CC=C(C=C1)OCC(CN)O
InChI
InChI=1S/C11H17NO2/c1-2-9-3-5-11(6-4-9)14-8-10(13)7-12/h3-6,10,13H,2,7-8,12H2,1H3
InChIKey
NTWCZHYXSNPMKQ-UHFFFAOYSA-N
Compound name
1-amino-3-(4-ethylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

195.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.8
[M+Na]+ 218.115148 150.6
[M-H]- 194.118654 146.4
[M+NH4]+ 213.159753 163.1
[M+K]+ 234.089088 148.4
[M+H-H2O]+ 178.123190 138.6
[M+HCOO]- 240.124131 167.0
[M+CH3COO]- 254.139781 185.0
[M+Na-2H]- 216.100596 148.6
[M]+ 195.12538142 144.4
[M]- 195.12647858 144.4
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