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

20
Patents

154.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 133.0
[M+Na]+ 177.052208 143.6
[M-H]- 153.055714 138.7
[M+NH4]+ 172.096813 153.8
[M+K]+ 193.026148 141.9
[M+H-H2O]+ 137.060250 129.2
[M+HCOO]- 199.061191 154.8
[M+CH3COO]- 213.076841 177.9
[M+Na-2H]- 175.037656 138.6
[M]+ 154.06244142 137.2
[M]- 154.06353858 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