CID 3080453

128366-09-6

Structural Information

Molecular Formula
C7H10N2S
SMILES
CSC1=CN2CCCC2=N1
InChI
InChI=1S/C7H10N2S/c1-10-7-5-9-4-2-3-6(9)8-7/h5H,2-4H2,1H3
InChIKey
IAJNOLWBMLKERM-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.05647 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.063746 131.1
[M+Na]+ 177.045688 141.6
[M-H]- 153.049194 133.8
[M+NH4]+ 172.090293 155.3
[M+K]+ 193.019628 140.0
[M+H-H2O]+ 137.053730 125.5
[M+HCOO]- 199.054671 148.9
[M+CH3COO]- 213.070321 145.5
[M+Na-2H]- 175.031136 133.0
[M]+ 154.05592142 133.4
[M]- 154.05701858 133.4
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

No patent data available for this compound.