CID 130591097

2-cyclopropyl-2-ethoxyacetaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
CCOC(C=O)C1CC1
InChI
InChI=1S/C7H12O2/c1-2-9-7(5-8)6-3-4-6/h5-7H,2-4H2,1H3
InChIKey
VALSVGVMNBYXFO-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-ethoxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.3
[M+Na]+ 151.07294 136.2
[M-H]- 127.07644 132.0
[M+NH4]+ 146.11754 144.6
[M+K]+ 167.04688 135.1
[M+H-H2O]+ 111.08098 121.6
[M+HCOO]- 173.08192 150.8
[M+CH3COO]- 187.09757 176.2
[M+Na-2H]- 149.05839 133.2
[M]+ 128.08317 131.7
[M]- 128.08427 131.7
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.