CID 3059283

1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane

Structural Information

Molecular Formula
C12H28N4
SMILES
CN1CCN(CCN(CCN(CC1)C)C)C
InChI
InChI=1S/C12H28N4/c1-13-5-7-14(2)9-11-16(4)12-10-15(3)8-6-13/h5-12H2,1-4H3
InChIKey
STYFDKOQURBOGQ-UHFFFAOYSA-N
Compound name
1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

292
Patents

228.2314 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.238676 158.7
[M+Na]+ 251.220618 163.7
[M-H]- 227.224124 153.9
[M+NH4]+ 246.265223 169.1
[M+K]+ 267.194558 162.5
[M+H-H2O]+ 211.228660 152.5
[M+HCOO]- 273.229601 169.9
[M+CH3COO]- 287.245251 188.2
[M+Na-2H]- 249.206066 158.5
[M]+ 228.23085142 150.4
[M]- 228.23194858 150.4
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