CID 560044

2-(2-methyl-1,3-dioxolan-2-yl)acetic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
CC1(OCCO1)CC(=O)O
InChI
InChI=1S/C6H10O4/c1-6(4-5(7)8)9-2-3-10-6/h2-4H2,1H3,(H,7,8)
InChIKey
FTKBXLIEUSEMPP-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

146.0579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 127.0
[M+Na]+ 169.047118 133.9
[M-H]- 145.050624 130.4
[M+NH4]+ 164.091723 148.4
[M+K]+ 185.021058 136.2
[M+H-H2O]+ 129.055160 123.5
[M+HCOO]- 191.056101 147.0
[M+CH3COO]- 205.071751 168.3
[M+Na-2H]- 167.032566 134.2
[M]+ 146.05735142 127.7
[M]- 146.05844858 127.7
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