CID 137951540

Methyl 3-cyano-6-oxabicyclo[3.1.0]hexane-3-carboxylate

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC(=O)C1(CC2C(C1)O2)C#N
InChI
InChI=1S/C8H9NO3/c1-11-7(10)8(4-9)2-5-6(3-8)12-5/h5-6H,2-3H2,1H3
InChIKey
RSZHANPALPAIKP-UHFFFAOYSA-N
Compound name
methyl 3-cyano-6-oxabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 130.6
[M+Na]+ 190.04746 147.5
[M-H]- 166.05096 138.3
[M+NH4]+ 185.09206 149.7
[M+K]+ 206.02140 142.3
[M+H-H2O]+ 150.05550 122.8
[M+HCOO]- 212.05644 150.0
[M+CH3COO]- 226.07209 192.1
[M+Na-2H]- 188.03291 139.0
[M]+ 167.05769 132.8
[M]- 167.05879 132.8
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.