CID 3062527

2-ethylbutanethioamide

Structural Information

Molecular Formula
C6H13NS
SMILES
CCC(CC)C(=S)N
InChI
InChI=1S/C6H13NS/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKey
ZQPXMBHQIBIRCF-UHFFFAOYSA-N
Compound name
2-ethylbutanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

131.07687 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08415 128.7
[M+Na]+ 154.06609 134.8
[M-H]- 130.06959 128.6
[M+NH4]+ 149.11069 150.6
[M+K]+ 170.04003 133.3
[M+H-H2O]+ 114.07413 123.7
[M+HCOO]- 176.07507 145.3
[M+CH3COO]- 190.09072 175.9
[M+Na-2H]- 152.05154 128.9
[M]+ 131.07632 128.1
[M]- 131.07742 128.1
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