CID 62906798

1310224-13-5

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

3
Patents

188.10486 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 140.8
[M+Na]+ 211.094078 145.5
[M-H]- 187.097584 142.9
[M+NH4]+ 206.138683 160.0
[M+K]+ 227.068018 146.5
[M+H-H2O]+ 171.102120 135.9
[M+HCOO]- 233.103061 158.7
[M+CH3COO]- 247.118711 177.5
[M+Na-2H]- 209.079526 146.6
[M]+ 188.10431142 140.0
[M]- 188.10540858 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