CID 3727496

3-(oxolan-2-yl)butanoic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC(CC(=O)O)C1CCCO1
InChI
InChI=1S/C8H14O3/c1-6(5-8(9)10)7-3-2-4-11-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
BRDOSYLBBARPLO-UHFFFAOYSA-N
Compound name
3-(oxolan-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 135.6
[M+Na]+ 181.083518 140.5
[M-H]- 157.087024 137.8
[M+NH4]+ 176.128123 155.8
[M+K]+ 197.057458 141.2
[M+H-H2O]+ 141.091560 130.6
[M+HCOO]- 203.092501 154.6
[M+CH3COO]- 217.108151 173.3
[M+Na-2H]- 179.068966 138.0
[M]+ 158.09375142 133.9
[M]- 158.09484858 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

literature stripe

Patent stripe

No patent data available for this compound.