CID 365793

Nsc633868

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC1(C2N(C1=O)CCS2)C
InChI
InChI=1S/C7H11NOS/c1-7(2)5(9)8-3-4-10-6(7)8/h6H,3-4H2,1-2H3
InChIKey
ILBINTWHJKIDJT-UHFFFAOYSA-N
Compound name
6,6-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.05614 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 126.0
[M+Na]+ 180.04536 133.9
[M-H]- 156.04886 129.5
[M+NH4]+ 175.08996 144.7
[M+K]+ 196.01930 135.2
[M+H-H2O]+ 140.05340 117.2
[M+HCOO]- 202.05434 140.9
[M+CH3COO]- 216.06999 178.8
[M+Na-2H]- 178.03081 128.9
[M]+ 157.05559 136.2
[M]- 157.05669 136.2
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

No patent data available for this compound.