CID 15977

1920-21-4

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1=COC(CC1)(C)C=O
InChI
InChI=1S/C8H12O2/c1-7-3-4-8(2,6-9)10-5-7/h5-6H,3-4H2,1-2H3
InChIKey
DYVJZCIYRQUXBA-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3,4-dihydropyran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

298
Patents

140.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 125.9
[M+Na]+ 163.072938 133.9
[M-H]- 139.076444 130.5
[M+NH4]+ 158.117543 148.5
[M+K]+ 179.046878 134.5
[M+H-H2O]+ 123.080980 121.6
[M+HCOO]- 185.081921 147.8
[M+CH3COO]- 199.097571 172.8
[M+Na-2H]- 161.058386 134.4
[M]+ 140.08317142 126.2
[M]- 140.08426858 126.2
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