CID 41779

1,4,7,10,13,16-hexaazacyclooctadecane

Structural Information

Molecular Formula
C12H30N6
SMILES
C1CNCCNCCNCCNCCNCCN1
InChI
InChI=1S/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2
InChIKey
RVJABZUDCPZPPM-UHFFFAOYSA-N
Compound name
1,4,7,10,13,16-hexazacyclooctadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

874
Patents

258.2532 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.26048 163.4
[M+Na]+ 281.24242 167.9
[M+NH4]+ 276.28702 165.6
[M+K]+ 297.21636 164.3
[M-H]- 257.24592 160.3
[M+Na-2H]- 279.22787 164.8
[M]+ 258.25265 161.9
[M]- 258.25375 161.9
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