CID 46249

Einecs 264-595-0

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C(C1=CC=CC=C1)O)NCCO
InChI
InChI=1S/C11H17NO2/c1-9(12-7-8-13)11(14)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3
InChIKey
WDGSTBTXYPCSLW-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

195.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 145.5
[M+Na]+ 218.11515 149.7
[M-H]- 194.11865 145.8
[M+NH4]+ 213.15975 162.9
[M+K]+ 234.08909 147.4
[M+H-H2O]+ 178.12319 139.4
[M+HCOO]- 240.12413 165.8
[M+CH3COO]- 254.13978 182.8
[M+Na-2H]- 216.10060 149.3
[M]+ 195.12538 143.1
[M]- 195.12648 143.1
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