CID 3062643

Butylamine, n,n-bis(2-chloroethyl)-, n-oxide

Structural Information

Molecular Formula
C8H17Cl2NO
SMILES
CCCC[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C8H17Cl2NO/c1-2-3-6-11(12,7-4-9)8-5-10/h2-8H2,1H3
InChIKey
PZKANZQTHWZOSI-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)butan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06873 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07601 149.0
[M+Na]+ 236.05795 155.5
[M-H]- 212.06145 147.7
[M+NH4]+ 231.10255 168.5
[M+K]+ 252.03189 147.4
[M+H-H2O]+ 196.06599 150.9
[M+HCOO]- 258.06693 162.4
[M+CH3COO]- 272.08258 182.4
[M+Na-2H]- 234.04340 155.7
[M]+ 213.06818 151.5
[M]- 213.06928 151.5
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.