CID 3062783

Butylamine, n,n-bis(2-chloroethyl)-3-methyl-

Structural Information

Molecular Formula
C9H19Cl2N
SMILES
CC(C)CCN(CCCl)CCCl
InChI
InChI=1S/C9H19Cl2N/c1-9(2)3-6-12(7-4-10)8-5-11/h9H,3-8H2,1-2H3
InChIKey
BRZARNZGCDBZOP-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08946 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09674 149.2
[M+Na]+ 234.07868 155.4
[M-H]- 210.08218 149.6
[M+NH4]+ 229.12328 169.7
[M+K]+ 250.05262 152.1
[M+H-H2O]+ 194.08672 145.4
[M+HCOO]- 256.08766 162.9
[M+CH3COO]- 270.10331 193.9
[M+Na-2H]- 232.06413 151.6
[M]+ 211.08891 154.0
[M]- 211.09001 154.0
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.