CID 4659299

1,8-dimethyl-1,4,8,11-tetraazacyclotetradecane

Structural Information

Molecular Formula
C12H28N4
SMILES
CN1CCCNCCN(CCCNCC1)C
InChI
InChI=1S/C12H28N4/c1-15-9-3-5-14-8-12-16(2)10-4-6-13-7-11-15/h13-14H,3-12H2,1-2H3
InChIKey
BNLDMZVBFXARKJ-UHFFFAOYSA-N
Compound name
1,8-dimethyl-1,4,8,11-tetrazacyclotetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

228.2314 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.238676 160.3
[M+Na]+ 251.220618 161.9
[M-H]- 227.224124 152.4
[M+NH4]+ 246.265223 168.2
[M+K]+ 267.194558 159.2
[M+H-H2O]+ 211.228660 153.9
[M+HCOO]- 273.229601 167.5
[M+CH3COO]- 287.245251 178.8
[M+Na-2H]- 249.206066 160.1
[M]+ 228.23085142 145.0
[M]- 228.23194858 145.0
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