CID 132344033

Methyl 8-amino-5-thiaspiro[3.5]nonane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO2S
SMILES
COC(=O)C1CC2(C1)CC(CCS2)N
InChI
InChI=1S/C10H17NO2S/c1-13-9(12)7-4-10(5-7)6-8(11)2-3-14-10/h7-8H,2-6,11H2,1H3
InChIKey
RERMJJARGFBWCN-UHFFFAOYSA-N
Compound name
methyl 8-amino-5-thiaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.098 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.105276 143.5
[M+Na]+ 238.087218 146.2
[M-H]- 214.090724 147.4
[M+NH4]+ 233.131823 157.3
[M+K]+ 254.061158 147.7
[M+H-H2O]+ 198.095260 132.5
[M+HCOO]- 260.096201 156.0
[M+CH3COO]- 274.111851 189.2
[M+Na-2H]- 236.072666 144.4
[M]+ 215.09745142 148.5
[M]- 215.09854858 148.5
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.