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 176.3
[M+Na]+ 329.29272 177.6
[M-H]- 305.29622 174.6
[M+NH4]+ 324.33732 198.1
[M+K]+ 345.26666 163.0
[M+H-H2O]+ 289.30076 174.4
[M+HCOO]- 351.30170 184.6
[M+CH3COO]- 365.31735 206.3
[M+Na-2H]- 327.27817 186.7
[M]+ 306.30295 176.0
[M]- 306.30405 176.0
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.