CID 21529489

1215618-08-8

Structural Information

Molecular Formula
C7H9NS
SMILES
CC1=NC2=C(S1)CCC2
InChI
InChI=1S/C7H9NS/c1-5-8-6-3-2-4-7(6)9-5/h2-4H2,1H3
InChIKey
LSNDXQUTOCWCJT-UHFFFAOYSA-N
Compound name
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

139.04558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.052856 127.3
[M+Na]+ 162.034798 137.8
[M-H]- 138.038304 131.5
[M+NH4]+ 157.079403 153.5
[M+K]+ 178.008738 136.2
[M+H-H2O]+ 122.042840 122.8
[M+HCOO]- 184.043781 146.4
[M+CH3COO]- 198.059431 142.4
[M+Na-2H]- 160.020246 129.5
[M]+ 139.04503142 129.2
[M]- 139.04612858 129.2
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