CID 9570665

Benzaldehyde, p-nitro-, o-(diethylaminoethyl)oxime, hydrochloride, (e)-

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]+ 266.14992 161.5
[M+Na]+ 288.13186 165.9
[M-H]- 264.13536 167.2
[M+NH4]+ 283.17646 177.8
[M+K]+ 304.10580 161.3
[M+H-H2O]+ 248.13990 157.9
[M+HCOO]- 310.14084 190.2
[M+CH3COO]- 324.15649 202.2
[M+Na-2H]- 286.11731 168.0
[M]+ 265.14209 164.1
[M]- 265.14319 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.