CID 72582

7034-04-0

Structural Information

Molecular Formula
C12H24N4
SMILES
CC1CC2NC(CC3N2C(N1)CC(N3)C)C
InChI
InChI=1S/C12H24N4/c1-7-4-10-14-9(3)6-12-15-8(2)5-11(13-7)16(10)12/h7-15H,4-6H2,1-3H3
InChIKey
MZEWYVRDJISVSS-UHFFFAOYSA-N
Compound name
3,7,11-trimethyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

87
Patents

224.2001 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.20738 162.9
[M+Na]+ 247.18932 167.3
[M-H]- 223.19282 156.4
[M+NH4]+ 242.23392 176.1
[M+K]+ 263.16326 161.2
[M+H-H2O]+ 207.19736 154.4
[M+HCOO]- 269.19830 165.9
[M+CH3COO]- 283.21395 169.3
[M+Na-2H]- 245.17477 164.0
[M]+ 224.19955 151.4
[M]- 224.20065 151.4
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