CID 12385068

2-(oxolan-2-yl)acetaldehyde

Structural Information

Molecular Formula
C6H10O2
SMILES
C1CC(OC1)CC=O
InChI
InChI=1S/C6H10O2/c7-4-3-6-2-1-5-8-6/h4,6H,1-3,5H2
InChIKey
SIZZTSXRSYMGHI-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

114.06808 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.075356 121.2
[M+Na]+ 137.057298 128.0
[M-H]- 113.060804 125.0
[M+NH4]+ 132.101903 144.1
[M+K]+ 153.031238 128.9
[M+H-H2O]+ 97.065340 116.5
[M+HCOO]- 159.066281 144.2
[M+CH3COO]- 173.081931 166.2
[M+Na-2H]- 135.042746 127.8
[M]+ 114.06753142 120.6
[M]- 114.06862858 120.6
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