CID 853165

Methyl (4s)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

Structural Information

Molecular Formula
C7H12O4
SMILES
CC1(OC[C@H](O1)C(=O)OC)C
InChI
InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKey
DOWWCCDWPKGNGX-YFKPBYRVSA-N
Compound name
methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

411
Patents

160.07356 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 129.6
[M+Na]+ 183.06278 137.6
[M-H]- 159.06628 134.7
[M+NH4]+ 178.10738 151.7
[M+K]+ 199.03672 140.7
[M+H-H2O]+ 143.07082 126.2
[M+HCOO]- 205.07176 150.9
[M+CH3COO]- 219.08741 174.4
[M+Na-2H]- 181.04823 136.4
[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

literature stripe

Patent stripe

patents stripe