CID 146155523

5-oxa-6-azaspiro[3.4]oct-6-ene-7-carbaldehyde

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC2(C1)CC(=NO2)C=O
InChI
InChI=1S/C7H9NO2/c9-5-6-4-7(10-8-6)2-1-3-7/h5H,1-4H2
InChIKey
GRNUOGAUBUHHSZ-UHFFFAOYSA-N
Compound name
5-oxa-6-azaspiro[3.4]oct-6-ene-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 119.0
[M+Na]+ 162.05254 126.2
[M-H]- 138.05604 124.3
[M+NH4]+ 157.09714 135.6
[M+K]+ 178.02648 129.3
[M+H-H2O]+ 122.06058 109.7
[M+HCOO]- 184.06152 140.3
[M+CH3COO]- 198.07717 173.2
[M+Na-2H]- 160.03799 127.5
[M]+ 139.06277 127.6
[M]- 139.06387 127.6
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.