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]+ 145.085916 129.5
[M+Na]+ 167.067858 136.1
[M-H]- 143.071364 132.2
[M+NH4]+ 162.112463 150.7
[M+K]+ 183.041798 136.6
[M+H-H2O]+ 127.075900 125.1
[M+HCOO]- 189.076841 149.9
[M+CH3COO]- 203.092491 170.6
[M+Na-2H]- 165.053306 133.2
[M]+ 144.07809142 128.6
[M]- 144.07918858 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.