CID 56266

91554-99-3

Structural Information

Molecular Formula
C12H19NO4
SMILES
CNCC(C1=CC(=C(C(=C1)OC)OC)OC)O
InChI
InChI=1S/C12H19NO4/c1-13-7-9(14)8-5-10(15-2)12(17-4)11(6-8)16-3/h5-6,9,13-14H,7H2,1-4H3
InChIKey
QKZWCRXBEHLKKT-UHFFFAOYSA-N
Compound name
2-(methylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 153.7
[M+Na]+ 264.12063 160.8
[M-H]- 240.12413 156.4
[M+NH4]+ 259.16523 170.9
[M+K]+ 280.09457 160.0
[M+H-H2O]+ 224.12867 147.3
[M+HCOO]- 286.12961 176.7
[M+CH3COO]- 300.14526 195.4
[M+Na-2H]- 262.10608 156.8
[M]+ 241.13086 158.4
[M]- 241.13196 158.4
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

No patent data available for this compound.