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 162.5
[M+Na]+ 302.11114 165.5
[M-H]- 278.11464 168.6
[M+NH4]+ 297.15574 174.5
[M+K]+ 318.08508 160.7
[M+H-H2O]+ 262.11918 157.5
[M+HCOO]- 324.12012 184.8
[M+CH3COO]- 338.13577 195.6
[M+Na-2H]- 300.09659 170.5
[M]+ 279.12137 160.3
[M]- 279.12247 160.3
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.