CID 54111073

2-(oxolan-3-yl)acetaldehyde

Structural Information

Molecular Formula
C6H10O2
SMILES
C1COCC1CC=O
InChI
InChI=1S/C6H10O2/c7-3-1-6-2-4-8-5-6/h3,6H,1-2,4-5H2
InChIKey
LWVRZPPVMAXVMJ-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

114.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 121.2
[M+Na]+ 137.05730 128.0
[M-H]- 113.06080 125.0
[M+NH4]+ 132.10190 144.1
[M+K]+ 153.03124 128.9
[M+H-H2O]+ 97.065340 116.5
[M+HCOO]- 159.06628 144.2
[M+CH3COO]- 173.08193 166.2
[M+Na-2H]- 135.04275 127.8
[M]+ 114.06753 120.6
[M]- 114.06863 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