CID 21589856

3-(5-methyloxolan-2-yl)propanoic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1CCC(O1)CCC(=O)O
InChI
InChI=1S/C8H14O3/c1-6-2-3-7(11-6)4-5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
SNNKEQXXSTZBPS-UHFFFAOYSA-N
Compound name
3-(5-methyloxolan-2-yl)propanoic 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]+ 159.10158 134.3
[M+Na]+ 181.08352 140.4
[M-H]- 157.08702 136.8
[M+NH4]+ 176.12812 154.9
[M+K]+ 197.05746 140.7
[M+H-H2O]+ 141.09156 129.6
[M+HCOO]- 203.09250 154.3
[M+CH3COO]- 217.10815 173.6
[M+Na-2H]- 179.06897 137.4
[M]+ 158.09375 133.7
[M]- 158.09485 133.7
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

No patent data available for this compound.