CID 106666

1,3-cyclohexanedimethanamine, n,n,n',n'-tetrakis(oxiranylmethyl)-

Structural Information

Molecular Formula
C20H34N2O4
SMILES
C1CC(CC(C1)CN(CC2CO2)CC3CO3)CN(CC4CO4)CC5CO5
InChI
InChI=1S/C20H34N2O4/c1-2-15(5-21(7-17-11-23-17)8-18-12-24-18)4-16(3-1)6-22(9-19-13-25-19)10-20-14-26-20/h15-20H,1-14H2
InChIKey
HASUCEDGKYJBDC-UHFFFAOYSA-N
Compound name
1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8895
Patents

366.25186 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.25914 190.7
[M+Na]+ 389.24108 186.6
[M-H]- 365.24458 199.5
[M+NH4]+ 384.28568 182.1
[M+K]+ 405.21502 193.8
[M+H-H2O]+ 349.24912 185.4
[M+HCOO]- 411.25006 195.9
[M+CH3COO]- 425.26571 241.4
[M+Na-2H]- 387.22653 186.2
[M]+ 366.25131 195.1
[M]- 366.25241 195.1
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

patents stripe