CID 52316

N,n-diallyl-2-methoxy-5-nitrobenzylammonium chloride

Structural Information

Molecular Formula
C14H18N2O3
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])CN(CC=C)CC=C
InChI
InChI=1S/C14H18N2O3/c1-4-8-15(9-5-2)11-12-10-13(16(17)18)6-7-14(12)19-3/h4-7,10H,1-2,8-9,11H2,3H3
InChIKey
ADVROZICNDZEQD-UHFFFAOYSA-N
Compound name
N-[(2-methoxy-5-nitrophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 161.2
[M+Na]+ 285.12096 166.9
[M-H]- 261.12446 165.9
[M+NH4]+ 280.16556 177.6
[M+K]+ 301.09490 160.7
[M+H-H2O]+ 245.12900 158.6
[M+HCOO]- 307.12994 187.3
[M+CH3COO]- 321.14559 198.4
[M+Na-2H]- 283.10641 165.8
[M]+ 262.13119 163.0
[M]- 262.13229 163.0
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.