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

69
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 130.7
[M+Na]+ 183.06278 138.1
[M-H]- 159.06628 134.3
[M+NH4]+ 178.10738 151.9
[M+K]+ 199.03672 140.2
[M+H-H2O]+ 143.07082 127.3
[M+HCOO]- 205.07176 150.3
[M+CH3COO]- 219.08741 172.5
[M+Na-2H]- 181.04823 136.8
[M]+ 160.07301 132.2
[M]- 160.07411 132.2
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