CID 4719059

2-{[(2,4-dimethoxyphenyl)methyl]amino}ethan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
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 146.2
[M+Na]+ 234.11007 153.1
[M-H]- 210.11357 148.6
[M+NH4]+ 229.15467 164.4
[M+K]+ 250.08401 151.4
[M+H-H2O]+ 194.11811 139.9
[M+HCOO]- 256.11905 170.3
[M+CH3COO]- 270.13470 188.0
[M+Na-2H]- 232.09552 151.7
[M]+ 211.12030 149.3
[M]- 211.12140 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

No literature data available for this compound.

Patent stripe

patents stripe