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]+ 241.123276 159.1
[M+Na]+ 263.105218 164.4
[M-H]- 239.108724 160.5
[M+NH4]+ 258.149823 178.7
[M+K]+ 279.079158 161.7
[M+H-H2O]+ 223.113260 154.2
[M+HCOO]- 285.114201 174.9
[M+CH3COO]- 299.129851 204.2
[M+Na-2H]- 261.090666 161.4
[M]+ 240.11545142 165.4
[M]- 240.11654858 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.