CID 12881134

61996-11-0

Structural Information

Molecular Formula
C8H10O3
SMILES
COC(=O)C12CC1CCC2=O
InChI
InChI=1S/C8H10O3/c1-11-7(10)8-4-5(8)2-3-6(8)9/h5H,2-4H2,1H3
InChIKey
BPGXDVJKUAMWSX-UHFFFAOYSA-N
Compound name
methyl 2-oxobicyclo[3.1.0]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

154.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 133.0
[M+Na]+ 177.05221 143.6
[M-H]- 153.05571 138.7
[M+NH4]+ 172.09681 153.8
[M+K]+ 193.02615 141.9
[M+H-H2O]+ 137.06025 129.2
[M+HCOO]- 199.06119 154.8
[M+CH3COO]- 213.07684 177.9
[M+Na-2H]- 175.03766 138.6
[M]+ 154.06244 137.2
[M]- 154.06354 137.2
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

patents stripe