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 150.9
[M+Na]+ 310.02355 157.7
[M-H]- 286.02705 149.4
[M+NH4]+ 305.06815 179.1
[M+K]+ 325.99749 147.2
[M+H-H2O]+ 270.03159 152.1
[M+HCOO]- 332.03253 150.6
[M+CH3COO]- 346.04818 161.3
[M+Na-2H]- 308.00900 160.3
[M]+ 287.03378 167.6
[M]- 287.03488 167.6
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.