CID 14141014

210297-55-5

Structural Information

Molecular Formula
C7H12O4
SMILES
CC1(OCC(O1)CC(=O)O)C
InChI
InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)3-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
OIUZBDNWEHNDHO-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

160.07356 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 131.9
[M+Na]+ 183.06278 140.8
[M+NH4]+ 178.10738 140.1
[M+K]+ 199.03672 138.2
[M-H]- 159.06628 133.6
[M+Na-2H]- 181.04823 135.0
[M]+ 160.07301 133.5
[M]- 160.07411 133.5
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