CID 3050608

1-oxaspiro(2.4)hept-4-ene-5-carbonitrile, 6,7-epoxy-2-methyl-

Structural Information

Molecular Formula
C8H7NO2
SMILES
CC1C2(O1)C=C(C3C2O3)[N+]#[C-]
InChI
InChI=1S/C8H7NO2/c1-4-8(11-4)3-5(9-2)6-7(8)10-6/h3-4,6-7H,1H3
InChIKey
QKQBXLBJVMDJNP-UHFFFAOYSA-N
Compound name
2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

149.04768 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 122.6
[M+Na]+ 172.03690 136.1
[M+NH4]+ 167.08150 130.5
[M+K]+ 188.01084 133.6
[M-H]- 148.04040 132.5
[M+Na-2H]- 170.02235 130.5
[M]+ 149.04713 128.7
[M]- 149.04823 128.7
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.