CID 16727460

N,n'-bis[1-(chloromethyl)propyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C10H22Cl2N2
SMILES
CCC(CCl)NCCNC(CC)CCl
InChI
InChI=1S/C10H22Cl2N2/c1-3-9(7-11)13-5-6-14-10(4-2)8-12/h9-10,13-14H,3-8H2,1-2H3
InChIKey
ITJFEUUBNXRTKH-UHFFFAOYSA-N
Compound name
N,N'-bis(1-chlorobutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.116 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12328 159.0
[M+Na]+ 263.10522 163.5
[M-H]- 239.10872 157.7
[M+NH4]+ 258.14982 177.3
[M+K]+ 279.07916 159.0
[M+H-H2O]+ 223.11326 154.9
[M+HCOO]- 285.11420 172.0
[M+CH3COO]- 299.12985 198.9
[M+Na-2H]- 261.09067 160.4
[M]+ 240.11545 161.6
[M]- 240.11655 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.