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

1
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

patents stripe