CID 3053489

Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, hydrobromide

Structural Information

Molecular Formula
C16H19NO2
SMILES
C1=CC=C(C=C1)CCNCCC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C16H19NO2/c18-15-7-6-14(12-16(15)19)9-11-17-10-8-13-4-2-1-3-5-13/h1-7,12,17-19H,8-11H2
InChIKey
WFWYFJIZKFNIGL-UHFFFAOYSA-N
Compound name
4-[2-(2-phenylethylamino)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.14157 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 161.3
[M+Na]+ 280.13079 174.3
[M+NH4]+ 275.17539 169.3
[M+K]+ 296.10473 166.4
[M-H]- 256.13429 165.7
[M+Na-2H]- 278.11624 169.6
[M]+ 257.14102 164.3
[M]- 257.14212 164.3
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