CID 9570680

O-(morpholinyl-2 ethyl) nitro-3-benzaldoxime chlorhydrate (e) [french]

Structural Information

Molecular Formula
C13H17N3O4
SMILES
C1COCCN1CCO/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H17N3O4/c17-16(18)13-3-1-2-12(10-13)11-14-20-9-6-15-4-7-19-8-5-15/h1-3,10-11H,4-9H2/b14-11+
InChIKey
ULMUQWXIFVCWMW-SDNWHVSQSA-N
Compound name
(E)-N-(2-morpholin-4-ylethoxy)-1-(3-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12192 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12920 161.9
[M+Na]+ 302.11114 173.6
[M+NH4]+ 297.15574 168.7
[M+K]+ 318.08508 170.0
[M-H]- 278.11464 167.8
[M+Na-2H]- 300.09659 168.0
[M]+ 279.12137 164.9
[M]- 279.12247 164.9
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.