CID 82837457

1543507-04-5

Structural Information

Molecular Formula
C7H12O4
SMILES
COC(=O)C(C1CCCO1)O
InChI
InChI=1S/C7H12O4/c1-10-7(9)6(8)5-3-2-4-11-5/h5-6,8H,2-4H2,1H3
InChIKey
BZQUQFNNKKQENP-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2-(oxolan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 133.6
[M+Na]+ 183.06278 138.9
[M-H]- 159.06628 136.0
[M+NH4]+ 178.10738 153.7
[M+K]+ 199.03672 140.4
[M+H-H2O]+ 143.07082 128.7
[M+HCOO]- 205.07176 153.2
[M+CH3COO]- 219.08741 171.8
[M+Na-2H]- 181.04823 136.7
[M]+ 160.07301 133.0
[M]- 160.07411 133.0
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

No patent data available for this compound.