CID 388773

1,5,9,13-tetramethyl-1,5,9,13-tetraazacyclohexadecane

Structural Information

Molecular Formula
C16H36N4
SMILES
CN1CCCN(CCCN(CCCN(CCC1)C)C)C
InChI
InChI=1S/C16H36N4/c1-17-9-5-11-18(2)13-7-15-20(4)16-8-14-19(3)12-6-10-17/h5-16H2,1-4H3
InChIKey
WWONSCWAHMKWLB-UHFFFAOYSA-N
Compound name
1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

284.294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.30128 175.4
[M+Na]+ 307.28322 177.6
[M-H]- 283.28672 170.9
[M+NH4]+ 302.32782 182.8
[M+K]+ 323.25716 175.6
[M+H-H2O]+ 267.29126 168.4
[M+HCOO]- 329.29220 183.3
[M+CH3COO]- 343.30785 195.9
[M+Na-2H]- 305.26867 172.4
[M]+ 284.29345 163.5
[M]- 284.29455 163.5
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