CID 50175

2-methoxy-alpha-(phenethylamino)-p-cresol hydrochloride

Structural Information

Molecular Formula
C16H19NO2
SMILES
COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)O
InChI
InChI=1S/C16H19NO2/c1-19-16-11-14(7-8-15(16)18)12-17-10-9-13-5-3-2-4-6-13/h2-8,11,17-18H,9-10,12H2,1H3
InChIKey
MTAGFKXNJKRAKR-UHFFFAOYSA-N
Compound name
2-methoxy-4-[(2-phenylethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 159.3
[M+Na]+ 280.13079 165.5
[M-H]- 256.13429 164.5
[M+NH4]+ 275.17539 175.2
[M+K]+ 296.10473 161.3
[M+H-H2O]+ 240.13883 151.5
[M+HCOO]- 302.13977 183.0
[M+CH3COO]- 316.15542 196.7
[M+Na-2H]- 278.11624 164.8
[M]+ 257.14102 160.1
[M]- 257.14212 160.1
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

No patent data available for this compound.