CID 203075

13757-49-8

Structural Information

Molecular Formula
C20H38N2
SMILES
CC[N+](C)(CC)CCCC[N+]1(CC2C3CCC(C2C1)C=C3)C
InChI
InChI=1S/C20H38N2/c1-5-21(3,6-2)13-7-8-14-22(4)15-19-17-9-10-18(12-11-17)20(19)16-22/h9-10,17-20H,5-8,11-16H2,1-4H3/q+2
InChIKey
BDERSWHIFBPOQC-UHFFFAOYSA-N
Compound name
diethyl-methyl-[4-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)butyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.3035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 169.3
[M+Na]+ 329.29272 181.7
[M+NH4]+ 324.33732 183.6
[M+K]+ 345.26666 174.0
[M-H]- 305.29622 172.8
[M+Na-2H]- 327.27817 170.8
[M]+ 306.30295 173.0
[M]- 306.30405 173.0
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.