CID 75524989

6-ethyl-3,4-dihydro-2h-pyran-5-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
CCC1=C(CCCO1)C(=O)O
InChI
InChI=1S/C8H12O3/c1-2-7-6(8(9)10)4-3-5-11-7/h2-5H2,1H3,(H,9,10)
InChIKey
ZYTARHXIOFZCHV-UHFFFAOYSA-N
Compound name
6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 131.5
[M+Na]+ 179.06786 137.8
[M-H]- 155.07136 134.2
[M+NH4]+ 174.11246 150.4
[M+K]+ 195.04180 138.0
[M+H-H2O]+ 139.07590 126.3
[M+HCOO]- 201.07684 150.9
[M+CH3COO]- 215.09249 173.5
[M+Na-2H]- 177.05331 136.9
[M]+ 156.07809 130.3
[M]- 156.07919 130.3
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