CID 62906798

4-(2-methoxyethyl)tetrahydro-2h-pyran-4-carboxylic acid

Structural Information

Molecular Formula
C9H16O4
SMILES
COCCC1(CCOCC1)C(=O)O
InChI
InChI=1S/C9H16O4/c1-12-5-2-9(8(10)11)3-6-13-7-4-9/h2-7H2,1H3,(H,10,11)
InChIKey
VCHKXCPHQPKSBY-UHFFFAOYSA-N
Compound name
4-(2-methoxyethyl)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.10486 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 140.8
[M+Na]+ 211.09408 145.5
[M-H]- 187.09758 142.9
[M+NH4]+ 206.13868 160.0
[M+K]+ 227.06802 146.5
[M+H-H2O]+ 171.10212 135.9
[M+HCOO]- 233.10306 158.7
[M+CH3COO]- 247.11871 177.5
[M+Na-2H]- 209.07953 146.6
[M]+ 188.10431 140.0
[M]- 188.10541 140.0
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