CID 3074570

Spiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decane)-5'-carboxylic acid, hydrochloride

Structural Information

Molecular Formula
C13H19NO2S
SMILES
C1CSC2(N1)C3CC4CC2CC(C4)(C3)C(=O)O
InChI
InChI=1S/C13H19NO2S/c15-11(16)12-5-8-3-9(6-12)13(10(4-8)7-12)14-1-2-17-13/h8-10,14H,1-7H2,(H,15,16)
InChIKey
VIHIXAOLCFCFRX-UHFFFAOYSA-N
Compound name
spiro[1,3-thiazolidine-2,4'-adamantane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11365 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12093 154.6
[M+Na]+ 276.10287 156.6
[M-H]- 252.10637 147.9
[M+NH4]+ 271.14747 179.8
[M+K]+ 292.07681 152.8
[M+H-H2O]+ 236.11091 149.4
[M+HCOO]- 298.11185 152.2
[M+CH3COO]- 312.12750 161.6
[M+Na-2H]- 274.08832 161.9
[M]+ 253.11310 153.4
[M]- 253.11420 153.4
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.