CID 146049447

2741283-56-5

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]+ 154.086256 129.2
[M+Na]+ 176.068198 137.8
[M-H]- 152.071704 131.8
[M+NH4]+ 171.112803 147.2
[M+K]+ 192.042138 138.1
[M+H-H2O]+ 136.076240 121.2
[M+HCOO]- 198.077181 148.0
[M+CH3COO]- 212.092831 177.7
[M+Na-2H]- 174.053646 133.6
[M]+ 153.07843142 136.7
[M]- 153.07952858 136.7
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.