CID 59477

102570-95-6

Structural Information

Molecular Formula
C11H19N2O2
SMILES
C[N+](C)(CC1=CC(=C(C=C1)OC)OC)N
InChI
InChI=1S/C11H19N2O2/c1-13(2,12)8-9-5-6-10(14-3)11(7-9)15-4/h5-7H,8,12H2,1-4H3/q+1
InChIKey
NCHBOCSMLIUTNY-UHFFFAOYSA-N
Compound name
amino-[(3,4-dimethoxyphenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.14465 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.15193 144.8
[M+Na]+ 234.13387 152.1
[M-H]- 210.13737 150.0
[M+NH4]+ 229.17847 164.0
[M+K]+ 250.10781 145.9
[M+H-H2O]+ 194.14191 141.5
[M+HCOO]- 256.14285 170.0
[M+CH3COO]- 270.15850 188.9
[M+Na-2H]- 232.11932 153.8
[M]+ 211.14410 146.2
[M]- 211.14520 146.2
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.