CID 131631948

Spiro[2.4]heptane-4-carbothioamide

Structural Information

Molecular Formula
C8H13NS
SMILES
C1CC(C2(C1)CC2)C(=S)N
InChI
InChI=1S/C8H13NS/c9-7(10)6-2-1-3-8(6)4-5-8/h6H,1-5H2,(H2,9,10)
InChIKey
RLODKKPQNNIEDZ-UHFFFAOYSA-N
Compound name
spiro[2.4]heptane-7-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.084146 127.7
[M+Na]+ 178.066088 136.1
[M-H]- 154.069594 133.7
[M+NH4]+ 173.110693 147.7
[M+K]+ 194.040028 133.5
[M+H-H2O]+ 138.074130 123.2
[M+HCOO]- 200.075071 144.7
[M+CH3COO]- 214.090721 179.0
[M+Na-2H]- 176.051536 130.1
[M]+ 155.07632142 127.0
[M]- 155.07741858 127.0
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.