CID 339341

80179-67-5

Structural Information

Molecular Formula
C7H9NOS2
SMILES
CN(C)C1=C(C(=S)C1=O)SC
InChI
InChI=1S/C7H9NOS2/c1-8(2)4-5(9)6(10)7(4)11-3/h1-3H3
InChIKey
FQUOLWGCPIHCAK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-3-methylsulfanyl-4-sulfanylidenecyclobut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.01256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01984 130.4
[M+Na]+ 210.00178 137.7
[M-H]- 186.00528 135.5
[M+NH4]+ 205.04638 144.6
[M+K]+ 225.97572 137.7
[M+H-H2O]+ 170.00982 117.9
[M+HCOO]- 232.01076 144.6
[M+CH3COO]- 246.02641 191.1
[M+Na-2H]- 207.98723 129.9
[M]+ 187.01201 143.8
[M]- 187.01311 143.8
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

No patent data available for this compound.