CID 53902403

3-methylidenethiolane

Structural Information

Molecular Formula
C5H8S
SMILES
C=C1CCSC1
InChI
InChI=1S/C5H8S/c1-5-2-3-6-4-5/h1-4H2
InChIKey
HYAAZWJMWVJCNF-UHFFFAOYSA-N
Compound name
3-methylidenethiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

100.03467 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.04195 118.4
[M+Na]+ 123.02389 126.2
[M-H]- 99.027394 122.2
[M+NH4]+ 118.06849 143.9
[M+K]+ 138.99783 124.9
[M+H-H2O]+ 83.031930 114.0
[M+HCOO]- 145.03287 136.9
[M+CH3COO]- 159.04852 163.4
[M+Na-2H]- 121.00934 120.7
[M]+ 100.03412 116.3
[M]- 100.03522 116.3
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