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]+ 140.05286 127.3
[M+Na]+ 162.03480 137.8
[M-H]- 138.03830 131.5
[M+NH4]+ 157.07940 153.5
[M+K]+ 178.00874 136.2
[M+H-H2O]+ 122.04284 122.8
[M+HCOO]- 184.04378 146.4
[M+CH3COO]- 198.05943 142.4
[M+Na-2H]- 160.02025 129.5
[M]+ 139.04503 129.2
[M]- 139.04613 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