CID 299816

24687-79-4

Structural Information

Molecular Formula
C11H17NO3
SMILES
COC1=C(C=C(C=C1)CNCCO)OC
InChI
InChI=1S/C11H17NO3/c1-14-10-4-3-9(7-11(10)15-2)8-12-5-6-13/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKey
DDFNDLKNICGIQE-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

211.12085 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 146.2
[M+Na]+ 234.110068 153.1
[M-H]- 210.113574 148.6
[M+NH4]+ 229.154673 164.4
[M+K]+ 250.084008 151.4
[M+H-H2O]+ 194.118110 139.9
[M+HCOO]- 256.119051 170.3
[M+CH3COO]- 270.134701 188.0
[M+Na-2H]- 232.095516 151.7
[M]+ 211.12030142 149.3
[M]- 211.12139858 149.3
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