CID 6364

2-propanethiol

Structural Information

Molecular Formula
C3H8S
SMILES
CC(C)S
InChI
InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
InChIKey
KJRCEJOSASVSRA-UHFFFAOYSA-N
Compound name
propane-2-thiol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

12
References

60726
Patents

76.03467 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.041946 110.6
[M+Na]+ 99.023888 118.9
[M-H]- 75.027394 111.9
[M+NH4]+ 94.068493 135.6
[M+K]+ 114.99783 119.2
[M+H-H2O]+ 59.031930 106.8
[M+HCOO]- 121.03287 128.8
[M+CH3COO]- 135.04852 163.1
[M+Na-2H]- 97.009336 114.5
[M]+ 76.034121 112.2
[M]- 76.035219 112.2
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.