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

116
Patents

157.1579 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.165176 183.9
[M+Na]+ 180.147118 186.6
[M-H]- 156.150624 184.3
[M+NH4]+ 175.191723 184.5
[M+K]+ 196.121058 184.3
[M+H-H2O]+ 140.155160 175.9
[M+HCOO]- 202.156101 185.4
[M+CH3COO]- 216.171751 186.2
[M+Na-2H]- 178.132566 187.6
[M]+ 157.15735142 184.9
[M]- 157.15844858 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