CID 45390

2-methylphenoxyethyl-beta-hydroxyethylamine hydrochloride

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1=CC=CC=C1OCCNCCO
InChI
InChI=1S/C11H17NO2/c1-10-4-2-3-5-11(10)14-9-7-12-6-8-13/h2-5,12-13H,6-9H2,1H3
InChIKey
VQPSMCRSFFMWKY-UHFFFAOYSA-N
Compound name
2-[2-(2-methylphenoxy)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 143.5
[M+Na]+ 218.11515 149.6
[M-H]- 194.11865 145.5
[M+NH4]+ 213.15975 162.1
[M+K]+ 234.08909 147.3
[M+H-H2O]+ 178.12319 137.2
[M+HCOO]- 240.12413 167.4
[M+CH3COO]- 254.13978 184.8
[M+Na-2H]- 216.10060 149.7
[M]+ 195.12538 144.7
[M]- 195.12648 144.7
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