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

113
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 183.9
[M+Na]+ 180.14712 186.6
[M-H]- 156.15062 184.3
[M+NH4]+ 175.19172 184.5
[M+K]+ 196.12106 184.3
[M+H-H2O]+ 140.15516 175.9
[M+HCOO]- 202.15610 185.4
[M+CH3COO]- 216.17175 186.2
[M+Na-2H]- 178.13257 187.6
[M]+ 157.15735 184.9
[M]- 157.15845 184.9
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