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 167.1
[M+Na]+ 291.27706 170.9
[M-H]- 267.28056 172.1
[M+NH4]+ 286.32166 189.6
[M+K]+ 307.25100 158.9
[M+H-H2O]+ 251.28510 167.9
[M+HCOO]- 313.28604 186.3
[M+CH3COO]- 327.30169 201.3
[M+Na-2H]- 289.26251 175.2
[M]+ 268.28729 166.1
[M]- 268.28839 166.1
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.