CID 57459766

2-amino-1-[3-(benzyloxy)phenyl]propan-1-ol hydrochloride

Structural Information

Molecular Formula
C16H19NO2
SMILES
CC(C(C1=CC(=CC=C1)OCC2=CC=CC=C2)O)N
InChI
InChI=1S/C16H19NO2/c1-12(17)16(18)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16,18H,11,17H2,1H3
InChIKey
KUROJUPTEJDZJB-UHFFFAOYSA-N
Compound name
2-amino-1-(3-phenylmethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.14157 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 160.9
[M+Na]+ 280.13079 165.5
[M-H]- 256.13429 165.4
[M+NH4]+ 275.17539 176.0
[M+K]+ 296.10473 162.1
[M+H-H2O]+ 240.13883 153.2
[M+HCOO]- 302.13977 181.9
[M+CH3COO]- 316.15542 196.7
[M+Na-2H]- 278.11624 163.5
[M]+ 257.14102 159.1
[M]- 257.14212 159.1
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