CID 20289348

Spiro[2.2]pentane-1-carbaldehyde

Structural Information

Molecular Formula
C6H8O
SMILES
C1CC12CC2C=O
InChI
InChI=1S/C6H8O/c7-4-5-3-6(5)1-2-6/h4-5H,1-3H2
InChIKey
JQAPIXOLWPNUMS-UHFFFAOYSA-N
Compound name
spiro[2.2]pentane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

96.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 133.8
[M+Na]+ 119.04674 142.8
[M-H]- 95.050244 140.8
[M+NH4]+ 114.09134 147.2
[M+K]+ 135.02068 143.1
[M+H-H2O]+ 79.054780 129.3
[M+HCOO]- 141.05572 154.3
[M+CH3COO]- 155.07137 180.7
[M+Na-2H]- 117.03219 140.2
[M]+ 96.056971 137.7
[M]- 96.058069 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe