CID 83423

5,6-dihydro-2h-pyran-3-carbaldehyde

Structural Information

Molecular Formula
C6H8O2
SMILES
C1COCC(=C1)C=O
InChI
InChI=1S/C6H8O2/c7-4-6-2-1-3-8-5-6/h2,4H,1,3,5H2
InChIKey
RKXCKEHBMLDWET-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-pyran-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

112.05243 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 118.3
[M+Na]+ 135.04165 125.3
[M-H]- 111.04515 122.4
[M+NH4]+ 130.08625 139.6
[M+K]+ 151.01559 126.1
[M+H-H2O]+ 95.049690 113.3
[M+HCOO]- 157.05063 140.8
[M+CH3COO]- 171.06628 166.0
[M+Na-2H]- 133.02710 127.3
[M]+ 112.05188 117.1
[M]- 112.05298 117.1
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