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]+ 131.027356 124.6
[M+Na]+ 153.009298 133.6
[M-H]- 129.012804 124.5
[M+NH4]+ 148.053903 145.7
[M+K]+ 168.983238 131.2
[M+H-H2O]+ 113.017340 119.0
[M+HCOO]- 175.018281 139.9
[M+CH3COO]- 189.033931 165.1
[M+Na-2H]- 150.994746 126.0
[M]+ 130.01953142 122.4
[M]- 130.02062858 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