CID 422314

(prop-2-yn-1-ylsulfanyl)methanimidamide hydrobromide

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

8
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 126.9
[M+Na]+ 137.01439 135.7
[M-H]- 113.01789 127.0
[M+NH4]+ 132.05899 146.8
[M+K]+ 152.98833 134.0
[M+H-H2O]+ 97.022430 116.0
[M+HCOO]- 159.02337 140.7
[M+CH3COO]- 173.03902 180.7
[M+Na-2H]- 134.99984 128.9
[M]+ 114.02462 119.8
[M]- 114.02572 119.8
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