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

933
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 107.8
[M+Na]+ 94.992588 117.0
[M-H]- 70.996094 109.1
[M+NH4]+ 90.037193 132.9
[M+K]+ 110.96653 115.6
[M+H-H2O]+ 55.000630 104.2
[M+HCOO]- 117.00157 127.5
[M+CH3COO]- 131.01722 160.4
[M+Na-2H]- 92.978036 112.9
[M]+ 72.002821 108.7
[M]- 72.003919 108.7
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