CID 372702

4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

Structural Information

Molecular Formula
C14H30N4
SMILES
CN1CCCN2CCN(CCCN(CC1)CC2)C
InChI
InChI=1S/C14H30N4/c1-15-5-3-7-18-12-10-16(2)6-4-8-17(11-9-15)13-14-18/h3-14H2,1-2H3
InChIKey
NJMWXCOSLAUOGE-UHFFFAOYSA-N
Compound name
4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

821
Patents

254.24704 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.25432 163.2
[M+Na]+ 277.23626 165.7
[M-H]- 253.23976 152.3
[M+NH4]+ 272.28086 171.5
[M+K]+ 293.21020 165.1
[M+H-H2O]+ 237.24430 159.4
[M+HCOO]- 299.24524 169.1
[M+CH3COO]- 313.26089 168.5
[M+Na-2H]- 275.22171 164.2
[M]+ 254.24649 151.2
[M]- 254.24759 151.2
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