CID 57468

99000-04-1

Structural Information

Molecular Formula
C18H34Cl2N2
SMILES
C1CCC(CC1)N(CCN(CCCl)CCCl)C2CCCCC2
InChI
InChI=1S/C18H34Cl2N2/c19-11-13-21(14-12-20)15-16-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h17-18H,1-16H2
InChIKey
QECZLCUMKBQCDO-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-N',N'-dicyclohexylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2099 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21718 189.4
[M+Na]+ 371.19912 187.8
[M-H]- 347.20262 194.1
[M+NH4]+ 366.24372 203.3
[M+K]+ 387.17306 183.4
[M+H-H2O]+ 331.20716 181.2
[M+HCOO]- 393.20810 197.0
[M+CH3COO]- 407.22375 220.5
[M+Na-2H]- 369.18457 186.7
[M]+ 348.20935 185.8
[M]- 348.21045 185.8
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.