CID 90369868

1-thia-6-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C5H9NS
SMILES
C1CSC12CNC2
InChI
InChI=1S/C5H9NS/c1-2-7-5(1)3-6-4-5/h6H,1-4H2
InChIKey
APPDVBXBDUFODU-UHFFFAOYSA-N
Compound name
1-thia-6-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

115.04557 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.05285 108.6
[M+Na]+ 138.03479 112.3
[M-H]- 114.03829 111.1
[M+NH4]+ 133.07939 118.0
[M+K]+ 154.00873 116.3
[M+H-H2O]+ 98.042830 94.7
[M+HCOO]- 160.04377 120.9
[M+CH3COO]- 174.05942 177.8
[M+Na-2H]- 136.02024 114.4
[M]+ 115.04502 121.8
[M]- 115.04612 121.8
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

patents stripe