CID 46238

Alpha-(1-aminoethyl)-2,4-dimethoxybenzyl alcohol hydrochloride

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C(C1=C(C=C(C=C1)OC)OC)O)N
InChI
InChI=1S/C11H17NO3/c1-7(12)11(13)9-5-4-8(14-2)6-10(9)15-3/h4-7,11,13H,12H2,1-3H3
InChIKey
ZWYOPUOIHUHDFO-UHFFFAOYSA-N
Compound name
2-amino-1-(2,4-dimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

211.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 147.7
[M+Na]+ 234.11007 154.2
[M-H]- 210.11357 149.8
[M+NH4]+ 229.15467 165.5
[M+K]+ 250.08401 153.2
[M+H-H2O]+ 194.11811 141.7
[M+HCOO]- 256.11905 169.2
[M+CH3COO]- 270.13470 189.3
[M+Na-2H]- 232.09552 149.6
[M]+ 211.12030 148.5
[M]- 211.12140 148.5
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