CID 165128476

2-oxaspiro[3.3]heptane-6-carbaldehyde

Structural Information

Molecular Formula
C7H10O2
SMILES
C1C(CC12COC2)C=O
InChI
InChI=1S/C7H10O2/c8-3-6-1-7(2-6)4-9-5-7/h3,6H,1-2,4-5H2
InChIKey
ANNBBSDNIIHSGJ-UHFFFAOYSA-N
Compound name
2-oxaspiro[3.3]heptane-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

126.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 109.8
[M+Na]+ 149.057298 115.0
[M-H]- 125.060804 116.2
[M+NH4]+ 144.101903 119.6
[M+K]+ 165.031238 121.2
[M+H-H2O]+ 109.065340 98.0
[M+HCOO]- 171.066281 128.9
[M+CH3COO]- 185.081931 183.2
[M+Na-2H]- 147.042746 119.1
[M]+ 126.06753142 126.1
[M]- 126.06862858 126.1
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