CID 11171261

3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
CC1(OCC(O1)CCC(=O)O)C
InChI
InChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)3-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
VOIMKESBBFHOSH-UHFFFAOYSA-N
Compound name
3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

174.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 135.4
[M+Na]+ 197.07842 142.4
[M-H]- 173.08192 138.8
[M+NH4]+ 192.12302 156.1
[M+K]+ 213.05236 144.2
[M+H-H2O]+ 157.08646 131.9
[M+HCOO]- 219.08740 154.7
[M+CH3COO]- 233.10305 175.5
[M+Na-2H]- 195.06387 141.0
[M]+ 174.08865 137.3
[M]- 174.08975 137.3
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