CID 3048207

63886-17-9

Structural Information

Molecular Formula
C18H38N2
SMILES
CC[N+]1(CCCC1)CCCCCC[N+]2(CCCC2)CC
InChI
InChI=1S/C18H38N2/c1-3-19(15-9-10-16-19)13-7-5-6-8-14-20(4-2)17-11-12-18-20/h3-18H2,1-2H3/q+2
InChIKey
NERAWVHOHJIQKV-UHFFFAOYSA-N
Compound name
1-ethyl-1-[6-(1-ethylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.3035 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.31078 173.7
[M+Na]+ 305.29272 175.7
[M-H]- 281.29622 176.0
[M+NH4]+ 300.33732 193.3
[M+K]+ 321.26666 162.0
[M+H-H2O]+ 265.30076 170.8
[M+HCOO]- 327.30170 188.8
[M+CH3COO]- 341.31735 189.0
[M+Na-2H]- 303.27817 177.2
[M]+ 282.30295 168.1
[M]- 282.30405 168.1
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.