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

literature stripe

Patent stripe

patents stripe