CID 25991

13440-12-5

Structural Information

Molecular Formula
C9H24N2
SMILES
C[N+](C)(C)CCC[N+](C)(C)C
InChI
InChI=1S/C9H24N2/c1-10(2,3)8-7-9-11(4,5)6/h7-9H2,1-6H3/q+2
InChIKey
BLLKHGYXCDSZGT-UHFFFAOYSA-N
Compound name
trimethyl-[3-(trimethylazaniumyl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

160.19395 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.20123 130.9
[M+Na]+ 183.18317 137.1
[M-H]- 159.18667 134.7
[M+NH4]+ 178.22777 152.9
[M+K]+ 199.15711 127.7
[M+H-H2O]+ 143.19121 132.3
[M+HCOO]- 205.19215 154.7
[M+CH3COO]- 219.20780 180.3
[M+Na-2H]- 181.16862 144.5
[M]+ 160.19340 131.2
[M]- 160.19450 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe