CID 3087532

Brn 0117483

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC12CCC(=O)N1CCS2
InChI
InChI=1S/C7H11NOS/c1-7-3-2-6(9)8(7)4-5-10-7/h2-5H2,1H3
InChIKey
LKJRXJIVGFDIPA-UHFFFAOYSA-N
Compound name
7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.05614 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.063416 133.0
[M+Na]+ 180.045358 142.2
[M-H]- 156.048864 136.5
[M+NH4]+ 175.089963 159.9
[M+K]+ 196.019298 140.9
[M+H-H2O]+ 140.053400 129.0
[M+HCOO]- 202.054341 149.4
[M+CH3COO]- 216.069991 147.1
[M+Na-2H]- 178.030806 134.7
[M]+ 157.05559142 133.0
[M]- 157.05668858 133.0
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