CID 203054

13713-15-0

Structural Information

Molecular Formula
C18H34N2
SMILES
CC[N+](C)(CC)CC[N+]1(CC2C3CCC(C2C1)C=C3)C
InChI
InChI=1S/C18H34N2/c1-5-19(3,6-2)11-12-20(4)13-17-15-7-8-16(10-9-15)18(17)14-20/h7-8,15-18H,5-6,9-14H2,1-4H3/q+2
InChIKey
IEIFVZDLCKMSLZ-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 160.4
[M+Na]+ 301.26142 173.2
[M+NH4]+ 296.30602 175.0
[M+K]+ 317.23536 166.0
[M-H]- 277.26492 164.0
[M+Na-2H]- 299.24687 162.4
[M]+ 278.27165 164.2
[M]- 278.27275 164.2
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

No patent data available for this compound.