CID 143049

Thioacrolein

Structural Information

Molecular Formula
C3H4S
SMILES
C=CC=S
InChI
InChI=1S/C3H4S/c1-2-3-4/h2-3H,1H2
InChIKey
GPRPXLGCWOJFQZ-UHFFFAOYSA-N
Compound name
prop-2-enethial
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

86
Patents

72.00337 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.010646 111.7
[M+Na]+ 94.992588 123.3
[M+NH4]+ 90.037193 121.4
[M+K]+ 110.96653 114.8
[M-H]- 70.996094 112.3
[M+Na-2H]- 92.978036 116.3
[M]+ 72.002821 113.9
[M]- 72.003919 113.9
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