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

178
Patents

160.07356 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 130.7
[M+Na]+ 183.062778 138.1
[M-H]- 159.066284 134.3
[M+NH4]+ 178.107383 151.9
[M+K]+ 199.036718 140.2
[M+H-H2O]+ 143.070820 127.3
[M+HCOO]- 205.071761 150.3
[M+CH3COO]- 219.087411 172.5
[M+Na-2H]- 181.048226 136.8
[M]+ 160.07301142 132.2
[M]- 160.07410858 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