CID 54333

1-(m-hydroxyphenyl)-2-benzylaminoethanol hydrochloride

Structural Information

Molecular Formula
C15H17NO2
SMILES
C1=CC=C(C=C1)CNCC(C2=CC(=CC=C2)O)O
InChI
InChI=1S/C15H17NO2/c17-14-8-4-7-13(9-14)15(18)11-16-10-12-5-2-1-3-6-12/h1-9,15-18H,10-11H2
InChIKey
OBKUPGJNRXOPHV-UHFFFAOYSA-N
Compound name
3-[2-(benzylamino)-1-hydroxyethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

243.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.3
[M+Na]+ 266.11515 160.3
[M-H]- 242.11865 159.0
[M+NH4]+ 261.15975 170.7
[M+K]+ 282.08909 155.9
[M+H-H2O]+ 226.12319 147.9
[M+HCOO]- 288.12413 176.8
[M+CH3COO]- 302.13978 191.0
[M+Na-2H]- 264.10060 160.4
[M]+ 243.12538 152.9
[M]- 243.12648 152.9
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

No patent data available for this compound.