CID 205932

Spiro(quinuclidine-3,2'-thiazolidine), dihydrochloride

Structural Information

Molecular Formula
C9H16N2S
SMILES
C1CN2CCC1C3(C2)NCCS3
InChI
InChI=1S/C9H16N2S/c1-4-11-5-2-8(1)9(7-11)10-3-6-12-9/h8,10H,1-7H2
InChIKey
PZBWZKZALKNSLV-UHFFFAOYSA-N
Compound name
spiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10342 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11070 135.6
[M+Na]+ 207.09264 139.9
[M-H]- 183.09614 130.6
[M+NH4]+ 202.13724 160.7
[M+K]+ 223.06658 137.2
[M+H-H2O]+ 167.10068 130.3
[M+HCOO]- 229.10162 139.1
[M+CH3COO]- 243.11727 145.2
[M+Na-2H]- 205.07809 143.6
[M]+ 184.10287 133.6
[M]- 184.10397 133.6
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

patents stripe