CID 203050

Kk-25-s

Structural Information

Molecular Formula
C17H32N2
SMILES
C[N+]1(CC2C3CCC(C2C1)C=C3)CCC[N+](C)(C)C
InChI
InChI=1S/C17H32N2/c1-18(2,3)10-5-11-19(4)12-16-14-6-7-15(9-8-14)17(16)13-19/h6-7,14-17H,5,8-13H2,1-4H3/q+2
InChIKey
NZWSSBOXHYRFET-UHFFFAOYSA-N
Compound name
trimethyl-[3-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.25656 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.26384 162.0
[M+Na]+ 287.24578 164.7
[M-H]- 263.24928 161.0
[M+NH4]+ 282.29038 185.6
[M+K]+ 303.21972 150.8
[M+H-H2O]+ 247.25382 160.8
[M+HCOO]- 309.25476 171.4
[M+CH3COO]- 323.27041 197.6
[M+Na-2H]- 285.23123 174.1
[M]+ 264.25601 160.8
[M]- 264.25711 160.8
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.