CID 58138

Brn 1750716

Structural Information

Molecular Formula
C10H22Cl2N2
SMILES
CN(CCCCN(C)CCCl)CCCl
InChI
InChI=1S/C10H22Cl2N2/c1-13(9-5-11)7-3-4-8-14(2)10-6-12/h3-10H2,1-2H3
InChIKey
PKPVVXDHYPNNCB-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-dimethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.116 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12328 159.1
[M+Na]+ 263.10522 164.4
[M-H]- 239.10872 160.5
[M+NH4]+ 258.14982 178.7
[M+K]+ 279.07916 161.7
[M+H-H2O]+ 223.11326 154.2
[M+HCOO]- 285.11420 174.9
[M+CH3COO]- 299.12985 204.2
[M+Na-2H]- 261.09067 161.4
[M]+ 240.11545 165.4
[M]- 240.11655 165.4
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.