CID 9570682

Benzaldehyde, p-nitro-, o-(2-morpholinoethyl)oxime, hydrochloride, (e)-

Structural Information

Molecular Formula
C13H17N3O4
SMILES
C1COCCN1CCO/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H17N3O4/c17-16(18)13-3-1-12(2-4-13)11-14-20-10-7-15-5-8-19-9-6-15/h1-4,11H,5-10H2/b14-11+
InChIKey
RORRQBSYWTTYRC-SDNWHVSQSA-N
Compound name
(E)-N-(2-morpholin-4-ylethoxy)-1-(4-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]+ 280.129196 162.5
[M+Na]+ 302.111138 165.5
[M-H]- 278.114644 168.6
[M+NH4]+ 297.155743 174.5
[M+K]+ 318.085078 160.7
[M+H-H2O]+ 262.119180 157.5
[M+HCOO]- 324.120121 184.8
[M+CH3COO]- 338.135771 195.6
[M+Na-2H]- 300.096586 170.5
[M]+ 279.12137142 160.3
[M]- 279.12246858 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.