CID 14949472

2-(5-methyloxolan-2-yl)acetic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1CCC(O1)CC(=O)O
InChI
InChI=1S/C7H12O3/c1-5-2-3-6(10-5)4-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
VODQLTAWGPQMGI-UHFFFAOYSA-N
Compound name
2-(5-methyloxolan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.5
[M+Na]+ 167.06786 136.1
[M-H]- 143.07136 132.2
[M+NH4]+ 162.11246 150.7
[M+K]+ 183.04180 136.6
[M+H-H2O]+ 127.07590 125.1
[M+HCOO]- 189.07684 149.9
[M+CH3COO]- 203.09249 170.6
[M+Na-2H]- 165.05331 133.2
[M]+ 144.07809 128.6
[M]- 144.07919 128.6
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.