CID 3062784

Brn 1768988

Structural Information

Molecular Formula
C9H19Cl2NO
SMILES
CC(C)CC[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C9H19Cl2NO/c1-9(2)3-6-12(13,7-4-10)8-5-11/h9H,3-8H2,1-2H3
InChIKey
FKYWXDJQLUUAQT-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3-methylbutan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.08437 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09165 152.8
[M+Na]+ 250.07359 158.8
[M-H]- 226.07709 151.6
[M+NH4]+ 245.11819 171.9
[M+K]+ 266.04753 150.8
[M+H-H2O]+ 210.08163 154.8
[M+HCOO]- 272.08257 165.1
[M+CH3COO]- 286.09822 185.9
[M+Na-2H]- 248.05904 158.0
[M]+ 227.08382 155.2
[M]- 227.08492 155.2
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.