CID 47131

64058-12-4

Structural Information

Molecular Formula
C16H34N2
SMILES
C[N+]1(CC2CCCC(C2)C1)CCCC[N+](C)(C)C
InChI
InChI=1S/C16H34N2/c1-17(2,3)10-5-6-11-18(4)13-15-8-7-9-16(12-15)14-18/h15-16H,5-14H2,1-4H3/q+2
InChIKey
ZHTFPKQTBCDRBO-UHFFFAOYSA-N
Compound name
trimethyl-[4-(3-methyl-3-azoniabicyclo[3.3.1]nonan-3-yl)butyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.2722 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.279476 161.3
[M+Na]+ 277.261418 163.8
[M-H]- 253.264924 162.8
[M+NH4]+ 272.306023 180.7
[M+K]+ 293.235358 150.8
[M+H-H2O]+ 237.269460 160.2
[M+HCOO]- 299.270401 174.5
[M+CH3COO]- 313.286051 192.0
[M+Na-2H]- 275.246866 171.5
[M]+ 254.27165142 155.7
[M]- 254.27274858 155.7
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

No patent data available for this compound.