CID 85764696

1-ethoxycyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C6H10O2
SMILES
CCOC1(CC1)C=O
InChI
InChI=1S/C6H10O2/c1-2-8-6(5-7)3-4-6/h5H,2-4H2,1H3
InChIKey
UEECCHIZQCYDGL-UHFFFAOYSA-N
Compound name
1-ethoxycyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

114.06808 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 123.9
[M+Na]+ 137.05730 134.0
[M-H]- 113.06080 129.1
[M+NH4]+ 132.10190 143.7
[M+K]+ 153.03124 133.7
[M+H-H2O]+ 97.065340 119.5
[M+HCOO]- 159.06628 148.2
[M+CH3COO]- 173.08193 172.1
[M+Na-2H]- 135.04275 132.5
[M]+ 114.06753 128.9
[M]- 114.06863 128.9
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