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]+ 159.101576 132.6
[M+Na]+ 181.083518 139.7
[M-H]- 157.087024 135.5
[M+NH4]+ 176.128123 155.3
[M+K]+ 197.057458 140.1
[M+H-H2O]+ 141.091560 129.1
[M+HCOO]- 203.092501 152.7
[M+CH3COO]- 217.108151 173.2
[M+Na-2H]- 179.068966 137.2
[M]+ 158.09375142 132.4
[M]- 158.09484858 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.