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]+ 158.06342 133.0
[M+Na]+ 180.04536 142.2
[M-H]- 156.04886 136.5
[M+NH4]+ 175.08996 159.9
[M+K]+ 196.01930 140.9
[M+H-H2O]+ 140.05340 129.0
[M+HCOO]- 202.05434 149.4
[M+CH3COO]- 216.06999 147.1
[M+Na-2H]- 178.03081 134.7
[M]+ 157.05559 133.0
[M]- 157.05669 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