CID 547114

3,4-dihydro-2-methoxy-4-methyl-2h-pyran

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1CC(OC=C1)OC
InChI
InChI=1S/C7H12O2/c1-6-3-4-9-7(5-6)8-2/h3-4,6-7H,5H2,1-2H3
InChIKey
JVTCUFUKBFIIBA-UHFFFAOYSA-N
Compound name
2-methoxy-4-methyl-3,4-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 123.9
[M+Na]+ 151.072938 131.1
[M-H]- 127.076444 128.2
[M+NH4]+ 146.117543 145.0
[M+K]+ 167.046878 132.3
[M+H-H2O]+ 111.080980 118.8
[M+HCOO]- 173.081921 145.9
[M+CH3COO]- 187.097571 171.1
[M+Na-2H]- 149.058386 131.7
[M]+ 128.08317142 124.2
[M]- 128.08426858 124.2
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