CID 3046188

Hydroxylamine, n-(p-chlorobenzyl)-o-(2-diethylaminoethyl)-, oxalate

Structural Information

Molecular Formula
C13H21ClN2O
SMILES
CCN(CC)CCONCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H21ClN2O/c1-3-16(4-2)9-10-17-15-11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKey
HROZTAKDOXJHJH-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14153 160.5
[M+Na]+ 279.12347 166.3
[M-H]- 255.12697 164.8
[M+NH4]+ 274.16807 178.6
[M+K]+ 295.09741 163.1
[M+H-H2O]+ 239.13151 153.9
[M+HCOO]- 301.13245 182.0
[M+CH3COO]- 315.14810 203.5
[M+Na-2H]- 277.10892 165.1
[M]+ 256.13370 165.5
[M]- 256.13480 165.5
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.