CID 21465396

2-[2-(aminomethyl)phenoxy]ethan-1-ol

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1=CC=C(C(=C1)CN)OCCO
InChI
InChI=1S/C9H13NO2/c10-7-8-3-1-2-4-9(8)12-6-5-11/h1-4,11H,5-7,10H2
InChIKey
LEFZVRBJXDFHRV-UHFFFAOYSA-N
Compound name
2-[2-(aminomethyl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

167.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 134.8
[M+Na]+ 190.083858 141.8
[M-H]- 166.087364 136.7
[M+NH4]+ 185.128463 154.3
[M+K]+ 206.057798 139.6
[M+H-H2O]+ 150.091900 129.0
[M+HCOO]- 212.092841 158.8
[M+CH3COO]- 226.108491 178.1
[M+Na-2H]- 188.069306 141.1
[M]+ 167.09409142 134.3
[M]- 167.09518858 134.3
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

patents stripe