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

54
Patents

140.04082 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.048096 126.9
[M+Na]+ 163.030038 137.5
[M-H]- 139.033544 128.4
[M+NH4]+ 158.074643 151.0
[M+K]+ 179.003978 135.1
[M+H-H2O]+ 123.038080 121.9
[M+HCOO]- 185.039021 143.6
[M+CH3COO]- 199.054671 141.1
[M+Na-2H]- 161.015486 129.0
[M]+ 140.04027142 127.1
[M]- 140.04136858 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