CID 59111

Brn 1758124

Structural Information

Molecular Formula
C12H26Cl2N2
SMILES
CN(CCCCCCN(C)CCCl)CCCl
InChI
InChI=1S/C12H26Cl2N2/c1-15(11-7-13)9-5-3-4-6-10-16(2)12-8-14/h3-12H2,1-2H3
InChIKey
UPDJDXOCWVZJBQ-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-dimethylhexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1473 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15458 164.1
[M+Na]+ 291.13652 173.6
[M+NH4]+ 286.18112 172.1
[M+K]+ 307.11046 165.5
[M-H]- 267.14002 165.4
[M+Na-2H]- 289.12197 167.6
[M]+ 268.14675 166.2
[M]- 268.14785 166.2
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.