CID 18442780

5,6-dihydro-4h-pyrrolo[3,4-d]thiazole dihydrochloride

Structural Information

Molecular Formula
C5H6N2S
SMILES
C1C2=C(CN1)SC=N2
InChI
InChI=1S/C5H6N2S/c1-4-5(2-6-1)8-3-7-4/h3,6H,1-2H2
InChIKey
ZPBHXVTULFEOTN-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

126.02517 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03245 122.7
[M+Na]+ 149.01439 133.0
[M+NH4]+ 144.05899 132.5
[M+K]+ 164.98833 128.7
[M-H]- 125.01789 123.4
[M+Na-2H]- 146.99984 126.8
[M]+ 126.02462 124.6
[M]- 126.02572 124.6
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