CID 424876

Niosh/bt2800000

Structural Information

Molecular Formula
C17H36N2
SMILES
C[N+](C)(C)CCCC1C2CCC(C2)C1C[N+](C)(C)C
InChI
InChI=1S/C17H36N2/c1-18(2,3)11-7-8-16-14-9-10-15(12-14)17(16)13-19(4,5)6/h14-17H,7-13H2,1-6H3/q+2
InChIKey
QWPRLSWNXAMJBS-UHFFFAOYSA-N
Compound name
trimethyl-[3-[3-[(trimethylazaniumyl)methyl]-2-bicyclo[2.2.1]heptanyl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.28784 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.29512 163.3
[M+Na]+ 291.27706 173.7
[M+NH4]+ 286.32166 174.7
[M+K]+ 307.25100 172.1
[M-H]- 267.28056 168.4
[M+Na-2H]- 289.26251 166.8
[M]+ 268.28729 166.9
[M]- 268.28839 166.9
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.