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]+ 140.070596 119.0
[M+Na]+ 162.052538 126.2
[M-H]- 138.056044 124.3
[M+NH4]+ 157.097143 135.6
[M+K]+ 178.026478 129.3
[M+H-H2O]+ 122.060580 109.7
[M+HCOO]- 184.061521 140.3
[M+CH3COO]- 198.077171 173.2
[M+Na-2H]- 160.037986 127.5
[M]+ 139.06277142 127.6
[M]- 139.06386858 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.