CID 546957

96556-05-7

Structural Information

Molecular Formula
C9H21N3
SMILES
CN1CCN(CCN(CC1)C)C
InChI
InChI=1S/C9H21N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H2,1-3H3
InChIKey
WLDGDTPNAKWAIR-UHFFFAOYSA-N
Compound name
1,4,7-trimethyl-1,4,7-triazonane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

6925
Patents

171.17355 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.180826 184.0
[M+Na]+ 194.162768 186.5
[M-H]- 170.166274 184.3
[M+NH4]+ 189.207373 184.5
[M+K]+ 210.136708 184.3
[M+H-H2O]+ 154.170810 175.9
[M+HCOO]- 216.171751 185.4
[M+CH3COO]- 230.187401 186.3
[M+Na-2H]- 192.148216 187.7
[M]+ 171.17300142 184.9
[M]- 171.17409858 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