CID 6197972

(2e)-butenoyl-[acp]

Structural Information

Molecular Formula
C4H6OS
SMILES
C/C=C/C(=O)S
InChI
InChI=1S/C4H6OS/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChIKey
YTTALSLGBLXCOB-NSCUHMNNSA-N
Compound name
(E)-but-2-enethioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

102.01394 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.02122 116.5
[M+Na]+ 125.00316 125.0
[M-H]- 101.00666 117.6
[M+NH4]+ 120.04776 140.4
[M+K]+ 140.97710 124.1
[M+H-H2O]+ 85.011200 112.5
[M+HCOO]- 147.01214 135.1
[M+CH3COO]- 161.02779 165.4
[M+Na-2H]- 122.98861 119.9
[M]+ 102.01339 118.5
[M]- 102.01449 118.5
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.