CID 337907

75920-10-4

Structural Information

Molecular Formula
C12H24N4
SMILES
C1CN2CCN3CCCN(C3)CCN(C1)C2
InChI
InChI=1S/C12H24N4/c1-3-13-7-9-15-5-2-6-16(12-15)10-8-14(4-1)11-13/h1-12H2
InChIKey
ZJCWEHQOOSNWTF-UHFFFAOYSA-N
Compound name
1,4,8,11-tetrazatricyclo[9.3.1.14,8]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

224.2001 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.20738 154.8
[M+Na]+ 247.18932 157.0
[M-H]- 223.19282 146.5
[M+NH4]+ 242.23392 167.2
[M+K]+ 263.16326 155.0
[M+H-H2O]+ 207.19736 147.4
[M+HCOO]- 269.19830 160.0
[M+CH3COO]- 283.21395 161.0
[M+Na-2H]- 245.17477 159.5
[M]+ 224.19955 143.2
[M]- 224.20065 143.2
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