CID 146049447

2411179-35-4

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC1([C@H]2[C@@H](C1=O)CC(=O)N2)C
InChI
InChI=1S/C8H11NO2/c1-8(2)6-4(7(8)11)3-5(10)9-6/h4,6H,3H2,1-2H3,(H,9,10)/t4-,6+/m0/s1
InChIKey
FLCMAYUPYMVBIS-UJURSFKZSA-N
Compound name
(1R,5S)-7,7-dimethyl-2-azabicyclo[3.2.0]heptane-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 132.9
[M+Na]+ 176.06820 138.3
[M+NH4]+ 171.11280 138.1
[M+K]+ 192.04214 135.5
[M-H]- 152.07170 129.6
[M+Na-2H]- 174.05365 133.6
[M]+ 153.07843 131.4
[M]- 153.07953 131.4
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.