CID 3074572

Adamantane-2-spiro(2'-thiazolidine-4'-carboxylic acid) hydrochloride

Structural Information

Molecular Formula
C13H19NO2S
SMILES
C1C2CC3CC1CC(C2)C34NCC(S4)C(=O)O
InChI
InChI=1S/C13H19NO2S/c15-12(16)11-6-14-13(17-11)9-2-7-1-8(4-9)5-10(13)3-7/h7-11,14H,1-6H2,(H,15,16)
InChIKey
MSMFJIJDQJCKOW-UHFFFAOYSA-N
Compound name
spiro[1,3-thiazolidine-2,2'-adamantane]-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11365 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12093 153.5
[M+Na]+ 276.10287 155.1
[M-H]- 252.10637 147.0
[M+NH4]+ 271.14747 177.0
[M+K]+ 292.07681 151.6
[M+H-H2O]+ 236.11091 149.0
[M+HCOO]- 298.11185 151.1
[M+CH3COO]- 312.12750 160.5
[M+Na-2H]- 274.08832 159.2
[M]+ 253.11310 152.2
[M]- 253.11420 152.2
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.