CID 46930717

3036886-78-6

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CN(CCC1=CC(=C(C=C1)OC)OC)N=O
InChI
InChI=1S/C11H16N2O3/c1-13(12-14)7-6-9-4-5-10(15-2)11(8-9)16-3/h4-5,8H,6-7H2,1-3H3
InChIKey
UNDIQKYSQDEGSR-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 148.0
[M+Na]+ 247.105308 155.4
[M-H]- 223.108814 154.7
[M+NH4]+ 242.149913 167.3
[M+K]+ 263.079248 156.2
[M+H-H2O]+ 207.113350 140.6
[M+HCOO]- 269.114291 176.8
[M+CH3COO]- 283.129941 200.8
[M+Na-2H]- 245.090756 154.1
[M]+ 224.11554142 154.7
[M]- 224.11663858 154.7
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.