CID 46930717

N-nitroso 2-(3,4-dimethoxyphenyl)-n-methylethylamine

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]+ 225.12337 148.0
[M+Na]+ 247.10531 155.4
[M-H]- 223.10881 154.7
[M+NH4]+ 242.14991 167.3
[M+K]+ 263.07925 156.2
[M+H-H2O]+ 207.11335 140.6
[M+HCOO]- 269.11429 176.8
[M+CH3COO]- 283.12994 200.8
[M+Na-2H]- 245.09076 154.1
[M]+ 224.11554 154.7
[M]- 224.11664 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.