CID 3081137

4-hydroxy-3-methoxymethamphetamine

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(CC1=CC(=C(C=C1)O)OC)NC
InChI
InChI=1S/C11H17NO2/c1-8(12-2)6-9-4-5-10(13)11(7-9)14-3/h4-5,7-8,12-13H,6H2,1-3H3
InChIKey
UVDWYWYWOMOEFX-UHFFFAOYSA-N
Compound name
2-methoxy-4-[2-(methylamino)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

209
Patents

195.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 143.9
[M+Na]+ 218.115148 150.7
[M-H]- 194.118654 146.4
[M+NH4]+ 213.159753 162.8
[M+K]+ 234.089088 148.9
[M+H-H2O]+ 178.123190 138.0
[M+HCOO]- 240.124131 166.8
[M+CH3COO]- 254.139781 186.8
[M+Na-2H]- 216.100596 148.1
[M]+ 195.12538142 144.9
[M]- 195.12647858 144.9
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