CID 131098872

2-(5,5-dimethyloxolan-3-yl)acetic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1(CC(CO1)CC(=O)O)C
InChI
InChI=1S/C8H14O3/c1-8(2)4-6(5-11-8)3-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
NVIHNQJHHGYJQU-UHFFFAOYSA-N
Compound name
2-(5,5-dimethyloxolan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.6
[M+Na]+ 181.08352 139.7
[M-H]- 157.08702 135.5
[M+NH4]+ 176.12812 155.3
[M+K]+ 197.05746 140.1
[M+H-H2O]+ 141.09156 129.1
[M+HCOO]- 203.09250 152.7
[M+CH3COO]- 217.10815 173.2
[M+Na-2H]- 179.06897 137.2
[M]+ 158.09375 132.4
[M]- 158.09485 132.4
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.