CID 53411976

3-(oxolan-3-yl)propanal

Structural Information

Molecular Formula
C7H12O2
SMILES
C1COCC1CCC=O
InChI
InChI=1S/C7H12O2/c8-4-1-2-7-3-5-9-6-7/h4,7H,1-3,5-6H2
InChIKey
ZQDRYRZNUHALDS-UHFFFAOYSA-N
Compound name
3-(oxolan-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

128.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.9
[M+Na]+ 151.072938 132.3
[M-H]- 127.076444 129.5
[M+NH4]+ 146.117543 148.3
[M+K]+ 167.046878 132.9
[M+H-H2O]+ 111.080980 121.1
[M+HCOO]- 173.081921 148.6
[M+CH3COO]- 187.097571 169.2
[M+Na-2H]- 149.058386 132.0
[M]+ 128.08317142 125.7
[M]- 128.08426858 125.7
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