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

11
Patents

160.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 133.2
[M+Na]+ 183.062778 138.8
[M-H]- 159.066284 136.1
[M+NH4]+ 178.107383 152.0
[M+K]+ 199.036718 140.6
[M+H-H2O]+ 143.070820 128.4
[M+HCOO]- 205.071761 152.9
[M+CH3COO]- 219.087411 171.7
[M+Na-2H]- 181.048226 138.5
[M]+ 160.07301142 133.9
[M]- 160.07410858 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