CID 18442780

1393686-96-8

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

343
Patents

126.02517 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.032446 122.4
[M+Na]+ 149.014388 132.5
[M-H]- 125.017894 123.7
[M+NH4]+ 144.058993 146.7
[M+K]+ 164.988328 130.5
[M+H-H2O]+ 109.022430 117.2
[M+HCOO]- 171.023371 139.4
[M+CH3COO]- 185.039021 136.6
[M+Na-2H]- 146.999836 125.6
[M]+ 126.02462142 121.9
[M]- 126.02571858 121.9
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