CID 20317387

3-(oxan-2-yl)propanal

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CCOC(C1)CCC=O
InChI
InChI=1S/C8H14O2/c9-6-3-5-8-4-1-2-7-10-8/h6,8H,1-5,7H2
InChIKey
URKSUFMYAYODSF-UHFFFAOYSA-N
Compound name
3-(oxan-2-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

142.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.8
[M+Na]+ 165.08860 134.8
[M-H]- 141.09210 133.1
[M+NH4]+ 160.13320 149.8
[M+K]+ 181.06254 135.3
[M+H-H2O]+ 125.09664 124.3
[M+HCOO]- 187.09758 150.1
[M+CH3COO]- 201.11323 172.5
[M+Na-2H]- 163.07405 136.7
[M]+ 142.09883 127.9
[M]- 142.09993 127.9
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