CID 22965762

2-(3,6-dihydro-2h-pyran-4-yl)acetic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1COCC=C1CC(=O)O
InChI
InChI=1S/C7H10O3/c8-7(9)5-6-1-3-10-4-2-6/h1H,2-5H2,(H,8,9)
InChIKey
HATZVAJENPPLIW-UHFFFAOYSA-N
Compound name
2-(3,6-dihydro-2H-pyran-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

142.06299 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 127.4
[M+Na]+ 165.05221 133.1
[M-H]- 141.05571 129.9
[M+NH4]+ 160.09681 146.5
[M+K]+ 181.02615 133.6
[M+H-H2O]+ 125.06025 122.1
[M+HCOO]- 187.06119 147.2
[M+CH3COO]- 201.07684 169.3
[M+Na-2H]- 163.03766 134.0
[M]+ 142.06244 125.4
[M]- 142.06354 125.4
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