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]+ 155.06375 131.1
[M+Na]+ 177.04569 141.6
[M-H]- 153.04919 133.8
[M+NH4]+ 172.09029 155.3
[M+K]+ 193.01963 140.0
[M+H-H2O]+ 137.05373 125.5
[M+HCOO]- 199.05467 148.9
[M+CH3COO]- 213.07032 145.5
[M+Na-2H]- 175.03114 133.0
[M]+ 154.05592 133.4
[M]- 154.05702 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.