CID 47127

64058-10-2

Structural Information

Molecular Formula
C16H32N2
SMILES
C[N+]1(CCCC1)CC[N+]2(CC3CCCC(C3)C2)C
InChI
InChI=1S/C16H32N2/c1-17(8-3-4-9-17)10-11-18(2)13-15-6-5-7-16(12-15)14-18/h15-16H,3-14H2,1-2H3/q+2
InChIKey
GZSOKHOXFNDIST-UHFFFAOYSA-N
Compound name
3-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3-azoniabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.25655 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.26383 163.8
[M+Na]+ 275.24577 166.4
[M-H]- 251.24927 165.5
[M+NH4]+ 270.29037 184.4
[M+K]+ 291.21971 152.0
[M+H-H2O]+ 235.25381 160.5
[M+HCOO]- 297.25475 174.0
[M+CH3COO]- 311.27040 183.3
[M+Na-2H]- 273.23122 170.1
[M]+ 252.25600 153.6
[M]- 252.25710 153.6
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.