CID 3064797

1-(1,3-dithiol-2-ylidene)-2-(ethoxycarbonyl)pyrrolidinium perchlorate

Structural Information

Molecular Formula
C10H14NO2S2
SMILES
CCOC(=O)C1CCC[N+]1=C2SC=CS2
InChI
InChI=1S/C10H14NO2S2/c1-2-13-9(12)8-4-3-5-11(8)10-14-6-7-15-10/h6-8H,2-5H2,1H3/q+1
InChIKey
YEWAUVWVXQINBU-UHFFFAOYSA-N
Compound name
ethyl 1-(1,3-dithiol-2-ylidene)pyrrolidin-1-ium-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.0466 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05388 154.4
[M+Na]+ 267.03582 162.7
[M-H]- 243.03932 160.5
[M+NH4]+ 262.08042 174.7
[M+K]+ 283.00976 154.4
[M+H-H2O]+ 227.04386 151.7
[M+HCOO]- 289.04480 166.7
[M+CH3COO]- 303.06045 178.6
[M+Na-2H]- 265.02127 153.1
[M]+ 244.04605 154.5
[M]- 244.04715 154.5
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