CID 22140884

Cyclopropanecarbothioamide

Structural Information

Molecular Formula
C4H7NS
SMILES
C1CC1C(=S)N
InChI
InChI=1S/C4H7NS/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
InChIKey
IIPJWNFOLPDTEQ-UHFFFAOYSA-N
Compound name
cyclopropanecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

578
Patents

101.02992 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.03720 113.1
[M+Na]+ 124.01914 122.1
[M-H]- 100.02264 117.7
[M+NH4]+ 119.06374 131.3
[M+K]+ 139.99308 119.7
[M+H-H2O]+ 84.027180 107.4
[M+HCOO]- 146.02812 132.2
[M+CH3COO]- 160.04377 171.3
[M+Na-2H]- 122.00459 116.8
[M]+ 101.02937 113.8
[M]- 101.03047 113.8
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