CID 9570674

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

Structural Information

Molecular Formula
C13H19BrN2O
SMILES
CCN(CC)CCO/N=C/C1=CC=C(C=C1)Br
InChI
InChI=1S/C13H19BrN2O/c1-3-16(4-2)9-10-17-15-11-12-5-7-13(14)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3/b15-11+
InChIKey
MNFFUCWQLRGAOA-RVDMUPIBSA-N
Compound name
2-[(E)-(4-bromophenyl)methylideneamino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.06808 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.07536 161.6
[M+Na]+ 321.05730 170.3
[M-H]- 297.06080 169.5
[M+NH4]+ 316.10190 181.2
[M+K]+ 337.03124 159.9
[M+H-H2O]+ 281.06534 159.0
[M+HCOO]- 343.06628 186.2
[M+CH3COO]- 357.08193 209.5
[M+Na-2H]- 319.04275 167.9
[M]+ 298.06753 183.6
[M]- 298.06863 183.6
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.