CID 15231191

2060006-12-2

Structural Information

Molecular Formula
C6H8N2S
SMILES
CC1=NC2=C(S1)CNC2
InChI
InChI=1S/C6H8N2S/c1-4-8-5-2-7-3-6(5)9-4/h7H,2-3H2,1H3
InChIKey
DQNDJDKFUJDVQW-UHFFFAOYSA-N
Compound name
2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

140.04082 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 126.9
[M+Na]+ 163.03004 137.5
[M-H]- 139.03354 128.4
[M+NH4]+ 158.07464 151.0
[M+K]+ 179.00398 135.1
[M+H-H2O]+ 123.03808 121.9
[M+HCOO]- 185.03902 143.6
[M+CH3COO]- 199.05467 141.1
[M+Na-2H]- 161.01549 129.0
[M]+ 140.04027 127.1
[M]- 140.04137 127.1
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