CID 57395

N-methyl-bis(2-chloropropyl)amine n-oxide hydrochloride

Structural Information

Molecular Formula
C7H16Cl2NO
SMILES
CC(C[N+](C)(CC(C)Cl)O)Cl
InChI
InChI=1S/C7H16Cl2NO/c1-6(8)4-10(3,11)5-7(2)9/h6-7,11H,4-5H2,1-3H3/q+1
InChIKey
VNVIASTWWDZCOY-UHFFFAOYSA-N
Compound name
bis(2-chloropropyl)-hydroxy-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.0609 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06818 138.4
[M+Na]+ 223.05012 145.2
[M-H]- 199.05362 138.2
[M+NH4]+ 218.09472 158.6
[M+K]+ 239.02406 137.1
[M+H-H2O]+ 183.05816 139.0
[M+HCOO]- 245.05910 149.7
[M+CH3COO]- 259.07475 180.9
[M+Na-2H]- 221.03557 144.5
[M]+ 200.06035 139.9
[M]- 200.06145 139.9
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.