CID 3084840

Normacromerine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

211.12085 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 146.9
[M+Na]+ 234.11007 157.7
[M+NH4]+ 229.15467 154.1
[M+K]+ 250.08401 152.6
[M-H]- 210.11357 148.3
[M+Na-2H]- 232.09552 152.0
[M]+ 211.12030 148.6
[M]- 211.12140 148.6
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