CID 165476107

2-ethyloxolane-2-carbaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC1(CCCO1)C=O
InChI
InChI=1S/C7H12O2/c1-2-7(6-8)4-3-5-9-7/h6H,2-5H2,1H3
InChIKey
HTZAPOXVLJYAPP-UHFFFAOYSA-N
Compound name
2-ethyloxolane-2-carbaldehyde
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 124.6
[M+Na]+ 151.07294 131.9
[M-H]- 127.07644 128.6
[M+NH4]+ 146.11754 149.0
[M+K]+ 167.04688 132.7
[M+H-H2O]+ 111.08098 120.7
[M+HCOO]- 173.08192 147.4
[M+CH3COO]- 187.09757 168.8
[M+Na-2H]- 149.05839 131.9
[M]+ 128.08317 124.7
[M]- 128.08427 124.7
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.