CID 55286756

2-sulfanylideneimidazolidine-1-carbaldehyde

Structural Information

Molecular Formula
C4H6N2OS
SMILES
C1CN(C(=S)N1)C=O
InChI
InChI=1S/C4H6N2OS/c7-3-6-2-1-5-4(6)8/h3H,1-2H2,(H,5,8)
InChIKey
SEZXDIZHRQESIV-UHFFFAOYSA-N
Compound name
2-sulfanylideneimidazolidine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

130.02008 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02736 124.6
[M+Na]+ 153.00930 133.6
[M-H]- 129.01280 124.5
[M+NH4]+ 148.05390 145.7
[M+K]+ 168.98324 131.2
[M+H-H2O]+ 113.01734 119.0
[M+HCOO]- 175.01828 139.9
[M+CH3COO]- 189.03393 165.1
[M+Na-2H]- 150.99475 126.0
[M]+ 130.01953 122.4
[M]- 130.02063 122.4
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