CID 422758

1, 5-methano-2h-quinolizinium, octahydro-, salt with 4-methylbenzenesulfonic acid (1:1)

Structural Information

Molecular Formula
C10H18N
SMILES
C1CC[N+]23CCCC(C2)C3C1
InChI
InChI=1S/C10H18N/c1-2-6-11-7-3-4-9(8-11)10(11)5-1/h9-10H,1-8H2/q+1
InChIKey
FHACJBIFZPSTIA-UHFFFAOYSA-N
Compound name
1-azoniatricyclo[5.3.1.01,6]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.14392 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.15120 129.3
[M+Na]+ 175.13314 133.3
[M-H]- 151.13664 131.7
[M+NH4]+ 170.17774 146.6
[M+K]+ 191.10708 128.9
[M+H-H2O]+ 135.14118 121.3
[M+HCOO]- 197.14212 143.0
[M+CH3COO]- 211.15777 174.4
[M+Na-2H]- 173.11859 139.8
[M]+ 152.14337 130.8
[M]- 152.14447 130.8
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.