CID 65103542

1489553-91-4

Structural Information

Molecular Formula
C12H17NOS
SMILES
C1CCC2(C1)CNCC(O2)C3=CC=CS3
InChI
InChI=1S/C12H17NOS/c1-2-6-12(5-1)9-13-8-10(14-12)11-4-3-7-15-11/h3-4,7,10,13H,1-2,5-6,8-9H2
InChIKey
HNHXUCYPSYNCMQ-UHFFFAOYSA-N
Compound name
7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10309 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11037 149.9
[M+Na]+ 246.09231 155.9
[M-H]- 222.09581 156.2
[M+NH4]+ 241.13691 171.0
[M+K]+ 262.06625 153.6
[M+H-H2O]+ 206.10035 144.4
[M+HCOO]- 268.10129 162.9
[M+CH3COO]- 282.11694 161.6
[M+Na-2H]- 244.07776 150.1
[M]+ 223.10254 144.9
[M]- 223.10364 144.9
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.