CID 373949

2,2,4,4-tetramethyl-3-sulfanylidenecyclobutan-1-one

Structural Information

Molecular Formula
C8H12OS
SMILES
CC1(C(=O)C(C1=S)(C)C)C
InChI
InChI=1S/C8H12OS/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3
InChIKey
SVRXPTCPQFXZSF-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-3-sulfanylidenecyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

156.06088 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06816 124.8
[M+Na]+ 179.05010 133.4
[M-H]- 155.05360 129.5
[M+NH4]+ 174.09470 144.2
[M+K]+ 195.02404 134.3
[M+H-H2O]+ 139.05814 117.9
[M+HCOO]- 201.05908 141.2
[M+CH3COO]- 215.07473 181.4
[M+Na-2H]- 177.03555 128.3
[M]+ 156.06033 136.3
[M]- 156.06143 136.3
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