CID 13509163

3-(oxolan-2-yl)propanal

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC(OC1)CCC=O
InChI
InChI=1S/C7H12O2/c8-5-1-3-7-4-2-6-9-7/h5,7H,1-4,6H2
InChIKey
HLTCUAKDVXMDQE-UHFFFAOYSA-N
Compound name
3-(oxolan-2-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

128.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.7
[M+Na]+ 151.07294 136.7
[M+NH4]+ 146.11754 135.3
[M+K]+ 167.04688 132.9
[M-H]- 127.07644 128.9
[M+Na-2H]- 149.05839 130.7
[M]+ 128.08317 128.5
[M]- 128.08427 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe