CID 53682689

2-ethylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C6H10O
SMILES
CCC1CC1C=O
InChI
InChI=1S/C6H10O/c1-2-5-3-6(5)4-7/h4-6H,2-3H2,1H3
InChIKey
PQYXQQVRZALTGG-UHFFFAOYSA-N
Compound name
2-ethylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

98.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 118.7
[M+Na]+ 121.06238 129.1
[M-H]- 97.065890 123.9
[M+NH4]+ 116.10699 137.6
[M+K]+ 137.03632 127.6
[M+H-H2O]+ 81.070426 113.5
[M+HCOO]- 143.07137 143.2
[M+CH3COO]- 157.08702 171.7
[M+Na-2H]- 119.04783 125.8
[M]+ 98.072617 122.2
[M]- 98.073715 122.2
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