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
2
Annotation Hits

1
References

383
Patents

160.07356 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 129.6
[M+Na]+ 183.062778 137.6
[M-H]- 159.066284 134.7
[M+NH4]+ 178.107383 151.7
[M+K]+ 199.036718 140.7
[M+H-H2O]+ 143.070820 126.2
[M+HCOO]- 205.071761 150.9
[M+CH3COO]- 219.087411 174.4
[M+Na-2H]- 181.048226 136.4
[M]+ 160.07301142 133.0
[M]- 160.07410858 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