CID 293639

4-(1,3-dioxolan-2-yl)butanoic acid

Structural Information

Molecular Formula
C7H12O4
SMILES
C1COC(O1)CCCC(=O)O
InChI
InChI=1S/C7H12O4/c8-6(9)2-1-3-7-10-4-5-11-7/h7H,1-5H2,(H,8,9)
InChIKey
HWDQPRIRTNVIAL-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

160.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 133.2
[M+Na]+ 183.06278 138.8
[M-H]- 159.06628 136.1
[M+NH4]+ 178.10738 152.0
[M+K]+ 199.03672 140.6
[M+H-H2O]+ 143.07082 128.4
[M+HCOO]- 205.07176 152.9
[M+CH3COO]- 219.08741 171.7
[M+Na-2H]- 181.04823 138.5
[M]+ 160.07301 133.9
[M]- 160.07411 133.9
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