CID 121207435

1-(ethoxymethyl)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
CCOCC1(CC1)C=O
InChI
InChI=1S/C7H12O2/c1-2-9-6-7(5-8)3-4-7/h5H,2-4,6H2,1H3
InChIKey
DMYYIYGCKQZCLT-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 128.1
[M+Na]+ 151.07294 137.8
[M-H]- 127.07644 133.1
[M+NH4]+ 146.11754 147.4
[M+K]+ 167.04688 137.3
[M+H-H2O]+ 111.08098 123.6
[M+HCOO]- 173.08192 152.2
[M+CH3COO]- 187.09757 175.0
[M+Na-2H]- 149.05839 136.2
[M]+ 128.08317 133.5
[M]- 128.08427 133.5
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.