CID 55279071

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

Structural Information

Molecular Formula
C5H9NS
SMILES
C1C2(CN1)CSC2
InChI
InChI=1S/C5H9NS/c1-5(2-6-1)3-7-4-5/h6H,1-4H2
InChIKey
PHMKOQSDCVHJFT-UHFFFAOYSA-N
Compound name
2-thia-6-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

115.04557 Da
Monoisotopic Mass

0.1
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

literature stripe

Patent stripe

patents stripe