CID 422314

Mfcd08445532

Structural Information

Molecular Formula
C4H6N2S
SMILES
C#CCSC(=N)N
InChI
InChI=1S/C4H6N2S/c1-2-3-7-4(5)6/h1H,3H2,(H3,5,6)
InChIKey
CPRHDNAFELKMOF-UHFFFAOYSA-N
Compound name
prop-2-ynyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

114.02517 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 120.7
[M+Na]+ 137.01439 129.0
[M+NH4]+ 132.05899 125.4
[M+K]+ 152.98833 120.0
[M-H]- 113.01789 113.5
[M+Na-2H]- 134.99984 121.5
[M]+ 114.02462 119.1
[M]- 114.02572 119.1
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

patents stripe