CID 3022407

93803-66-8

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC1=C(C=C(C=C1)NCCOCCOC)O
InChI
InChI=1S/C12H19NO3/c1-10-3-4-11(9-12(10)14)13-5-6-16-8-7-15-2/h3-4,9,13-14H,5-8H2,1-2H3
InChIKey
OCNSJNPDSQVAHJ-UHFFFAOYSA-N
Compound name
5-[2-(2-methoxyethoxy)ethylamino]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 150.8
[M+Na]+ 248.125708 157.3
[M-H]- 224.129214 153.0
[M+NH4]+ 243.170313 168.4
[M+K]+ 264.099648 155.3
[M+H-H2O]+ 208.133750 144.2
[M+HCOO]- 270.134691 174.5
[M+CH3COO]- 284.150341 191.1
[M+Na-2H]- 246.111156 155.8
[M]+ 225.13594142 154.2
[M]- 225.13703858 154.2
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.