CID 5289329

[hydroxy(3-phenylpropyl)amino]methanol

Structural Information

Molecular Formula
C10H15NO2
SMILES
C1=CC=C(C=C1)CCCN(CO)O
InChI
InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
InChIKey
GELOPWXSYZDPJT-UHFFFAOYSA-N
Compound name
[hydroxy(3-phenylpropyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

181.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 139.9
[M+Na]+ 204.09950 145.2
[M-H]- 180.10300 141.8
[M+NH4]+ 199.14410 158.6
[M+K]+ 220.07344 143.6
[M+H-H2O]+ 164.10754 133.6
[M+HCOO]- 226.10848 163.1
[M+CH3COO]- 240.12413 181.4
[M+Na-2H]- 202.08495 146.0
[M]+ 181.10973 139.7
[M]- 181.11083 139.7
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

No patent data available for this compound.