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

359
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 122.4
[M+Na]+ 149.01439 132.5
[M-H]- 125.01789 123.7
[M+NH4]+ 144.05899 146.7
[M+K]+ 164.98833 130.5
[M+H-H2O]+ 109.02243 117.2
[M+HCOO]- 171.02337 139.4
[M+CH3COO]- 185.03902 136.6
[M+Na-2H]- 146.99984 125.6
[M]+ 126.02462 121.9
[M]- 126.02572 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