CID 53256626

N-(4-methoxy-2-nitrobenzyl)-n-methylamine

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CNCC1=C(C=C(C=C1)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O3/c1-10-6-7-3-4-8(14-2)5-9(7)11(12)13/h3-5,10H,6H2,1-2H3
InChIKey
DQHRZEBHVYHUMG-UHFFFAOYSA-N
Compound name
1-(4-methoxy-2-nitrophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 139.7
[M+Na]+ 219.07402 152.2
[M+NH4]+ 214.11862 147.6
[M+K]+ 235.04796 148.9
[M-H]- 195.07752 143.3
[M+Na-2H]- 217.05947 146.0
[M]+ 196.08425 142.3
[M]- 196.08535 142.3
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.