CID 13654619

93081-19-7

Structural Information

Molecular Formula
C16H19NO2
SMILES
CNC(CC1=CC=CC=C1)CC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C16H19NO2/c1-17-14(9-12-5-3-2-4-6-12)10-13-7-8-15(18)16(19)11-13/h2-8,11,14,17-19H,9-10H2,1H3
InChIKey
QPFRLSDHPZFFRB-UHFFFAOYSA-N
Compound name
4-[2-(methylamino)-3-phenylpropyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 160.0
[M+Na]+ 280.13079 165.5
[M-H]- 256.13429 163.9
[M+NH4]+ 275.17539 175.1
[M+K]+ 296.10473 161.0
[M+H-H2O]+ 240.13883 152.6
[M+HCOO]- 302.13977 181.2
[M+CH3COO]- 316.15542 195.2
[M+Na-2H]- 278.11624 163.8
[M]+ 257.14102 158.4
[M]- 257.14212 158.4
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.