CID 19785

N,n-bis(2-chloroethyl)-n',n'-diethyl-1,4-butanediamine dihydrochloride

Structural Information

Molecular Formula
C12H26Cl2N2
SMILES
CCN(CC)CCCCN(CCCl)CCCl
InChI
InChI=1S/C12H26Cl2N2/c1-3-15(4-2)9-5-6-10-16(11-7-13)12-8-14/h3-12H2,1-2H3
InChIKey
WVCPVAJAWQCJQT-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N,N-diethylbutane-1,4-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 168.3
[M+Na]+ 291.13652 172.8
[M-H]- 267.14002 169.4
[M+NH4]+ 286.18112 186.8
[M+K]+ 307.11046 169.6
[M+H-H2O]+ 251.14456 163.0
[M+HCOO]- 313.14550 183.5
[M+CH3COO]- 327.16115 210.1
[M+Na-2H]- 289.12197 169.5
[M]+ 268.14675 175.4
[M]- 268.14785 175.4
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.