CID 14252428

3-methyl-2-cyclopentene-1-thione

Structural Information

Molecular Formula
C6H8S
SMILES
CC1=CC(=S)CC1
InChI
InChI=1S/C6H8S/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
InChIKey
JBWUENDATZQNBX-UHFFFAOYSA-N
Compound name
3-methylcyclopent-2-ene-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.03467 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04195 119.8
[M+Na]+ 135.02389 129.2
[M-H]- 111.02739 124.2
[M+NH4]+ 130.06849 145.4
[M+K]+ 150.99783 127.3
[M+H-H2O]+ 95.031930 115.6
[M+HCOO]- 157.03287 139.5
[M+CH3COO]- 171.04852 167.0
[M+Na-2H]- 133.00934 122.1
[M]+ 112.03412 120.0
[M]- 112.03522 120.0
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