CID 12973972

1,4-dimethyl-1,4,7-triazonane

Structural Information

Molecular Formula
C8H19N3
SMILES
CN1CCNCCN(CC1)C
InChI
InChI=1S/C8H19N3/c1-10-5-3-9-4-6-11(2)8-7-10/h9H,3-8H2,1-2H3
InChIKey
WUCCSASUKQHPAS-UHFFFAOYSA-N
Compound name
1,4-dimethyl-1,4,7-triazonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

112
Patents

157.1579 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.16518 179.9
[M+Na]+ 180.14712 181.4
[M+NH4]+ 175.19172 180.9
[M+K]+ 196.12106 179.8
[M-H]- 156.15062 179.9
[M+Na-2H]- 178.13257 179.6
[M]+ 157.15735 180.2
[M]- 157.15845 180.2
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