CID 9570690

O-(morpholinyl-2 ethyl) bromo-4 benzaldoxime chlorhydrate (e) [french]

Structural Information

Molecular Formula
C13H17BrN2O2
SMILES
C1COCCN1CCO/N=C/C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H17BrN2O2/c14-13-3-1-12(2-4-13)11-15-18-10-7-16-5-8-17-9-6-16/h1-4,11H,5-10H2/b15-11+
InChIKey
BTFZOQVRPLAWIO-RVDMUPIBSA-N
Compound name
(E)-1-(4-bromophenyl)-N-(2-morpholin-4-ylethoxy)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.04733 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.05461 163.5
[M+Na]+ 335.03655 171.1
[M-H]- 311.04005 171.8
[M+NH4]+ 330.08115 179.2
[M+K]+ 351.01049 161.5
[M+H-H2O]+ 295.04459 160.7
[M+HCOO]- 357.04553 182.3
[M+CH3COO]- 371.06118 202.9
[M+Na-2H]- 333.02200 170.7
[M]+ 312.04678 181.3
[M]- 312.04788 181.3
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.