CID 79026828

2-(propan-2-yl)oxolane-3-carboxylic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC(C)C1C(CCO1)C(=O)O
InChI
InChI=1S/C8H14O3/c1-5(2)7-6(8(9)10)3-4-11-7/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKey
UPQVLGYJZWGVBV-UHFFFAOYSA-N
Compound name
2-propan-2-yloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.6
[M+Na]+ 181.08352 140.5
[M-H]- 157.08702 137.2
[M+NH4]+ 176.12812 155.2
[M+K]+ 197.05746 141.3
[M+H-H2O]+ 141.09156 130.1
[M+HCOO]- 203.09250 153.7
[M+CH3COO]- 217.10815 174.5
[M+Na-2H]- 179.06897 136.5
[M]+ 158.09375 133.4
[M]- 158.09485 133.4
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.