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]+ 129.09100 125.9
[M+Na]+ 151.07294 132.3
[M-H]- 127.07644 129.5
[M+NH4]+ 146.11754 148.3
[M+K]+ 167.04688 132.9
[M+H-H2O]+ 111.08098 121.1
[M+HCOO]- 173.08192 148.6
[M+CH3COO]- 187.09757 169.2
[M+Na-2H]- 149.05839 132.0
[M]+ 128.08317 125.7
[M]- 128.08427 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