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

72
Patents

115.04557 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.052846 108.6
[M+Na]+ 138.034788 112.3
[M-H]- 114.038294 111.1
[M+NH4]+ 133.079393 118.0
[M+K]+ 154.008728 116.3
[M+H-H2O]+ 98.042830 94.7
[M+HCOO]- 160.043771 120.9
[M+CH3COO]- 174.059421 177.8
[M+Na-2H]- 136.020236 114.4
[M]+ 115.04502142 121.8
[M]- 115.04611858 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