CID 9570665

61733-96-8

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CCN(CC)CCO/N=C/C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H19N3O3/c1-3-15(4-2)9-10-19-14-11-12-5-7-13(8-6-12)16(17)18/h5-8,11H,3-4,9-10H2,1-2H3/b14-11+
InChIKey
XLVBVYPMHDIVAW-SDNWHVSQSA-N
Compound name
N,N-diethyl-2-[(E)-(4-nitrophenyl)methylideneamino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.149916 161.5
[M+Na]+ 288.131858 165.9
[M-H]- 264.135364 167.2
[M+NH4]+ 283.176463 177.8
[M+K]+ 304.105798 161.3
[M+H-H2O]+ 248.139900 157.9
[M+HCOO]- 310.140841 190.2
[M+CH3COO]- 324.156491 202.2
[M+Na-2H]- 286.117306 168.0
[M]+ 265.14209142 164.1
[M]- 265.14318858 164.1
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.