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]+ 156.08415 127.7
[M+Na]+ 178.06609 136.1
[M-H]- 154.06959 133.7
[M+NH4]+ 173.11069 147.7
[M+K]+ 194.04003 133.5
[M+H-H2O]+ 138.07413 123.2
[M+HCOO]- 200.07507 144.7
[M+CH3COO]- 214.09072 179.0
[M+Na-2H]- 176.05154 130.1
[M]+ 155.07632 127.0
[M]- 155.07742 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.