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]+ 216.10528 143.5
[M+Na]+ 238.08722 146.2
[M-H]- 214.09072 147.4
[M+NH4]+ 233.13182 157.3
[M+K]+ 254.06116 147.7
[M+H-H2O]+ 198.09526 132.5
[M+HCOO]- 260.09620 156.0
[M+CH3COO]- 274.11185 189.2
[M+Na-2H]- 236.07267 144.4
[M]+ 215.09745 148.5
[M]- 215.09855 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.