CID 3074568

5'-bromospiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decane) hydrochloride

Structural Information

Molecular Formula
C12H18BrNS
SMILES
C1CSC2(N1)C3CC4CC2CC(C4)(C3)Br
InChI
InChI=1S/C12H18BrNS/c13-11-5-8-3-9(6-11)12(10(4-8)7-11)14-1-2-15-12/h8-10,14H,1-7H2
InChIKey
JXQJIBCYAUYVHK-UHFFFAOYSA-N
Compound name
1'-bromospiro[1,3-thiazolidine-2,4'-adamantane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.03433 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04161 157.4
[M+Na]+ 310.02355 156.4
[M+NH4]+ 305.06815 167.9
[M+K]+ 325.99749 151.9
[M-H]- 286.02705 155.0
[M+Na-2H]- 308.00900 153.8
[M]+ 287.03378 156.0
[M]- 287.03488 156.0
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.