CID 50988248

1308910-95-3

Structural Information

Molecular Formula
C10H11NO2S2
SMILES
CCOC(=O)C1=C(C2=C(S1)C=CS2)CN
InChI
InChI=1S/C10H11NO2S2/c1-2-13-10(12)9-6(5-11)8-7(15-9)3-4-14-8/h3-4H,2,5,11H2,1H3
InChIKey
VVJSRWIIPYTVHH-UHFFFAOYSA-N
Compound name
ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.02312 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.03040 151.9
[M+Na]+ 264.01234 162.8
[M-H]- 240.01584 157.1
[M+NH4]+ 259.05694 175.0
[M+K]+ 279.98628 158.9
[M+H-H2O]+ 224.02038 147.7
[M+HCOO]- 286.02132 168.0
[M+CH3COO]- 300.03697 190.1
[M+Na-2H]- 261.99779 151.2
[M]+ 241.02257 158.3
[M]- 241.02367 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.