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

1
Patents

128.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 124.6
[M+Na]+ 151.072938 131.9
[M-H]- 127.076444 128.6
[M+NH4]+ 146.117543 149.0
[M+K]+ 167.046878 132.7
[M+H-H2O]+ 111.080980 120.7
[M+HCOO]- 173.081921 147.4
[M+CH3COO]- 187.097571 168.8
[M+Na-2H]- 149.058386 131.9
[M]+ 128.08317142 124.7
[M]- 128.08426858 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

patents stripe