CID 21433405

3132-67-0

Structural Information

Molecular Formula
C9H12O3
SMILES
CC1=C(C=C(O1)C(C)C)C(=O)O
InChI
InChI=1S/C9H12O3/c1-5(2)8-4-7(9(10)11)6(3)12-8/h4-5H,1-3H3,(H,10,11)
InChIKey
WQUFPWFQPKBPHQ-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-ylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 134.4
[M+Na]+ 191.067858 142.9
[M-H]- 167.071364 138.1
[M+NH4]+ 186.112463 155.2
[M+K]+ 207.041798 143.1
[M+H-H2O]+ 151.075900 130.0
[M+HCOO]- 213.076841 156.2
[M+CH3COO]- 227.092491 178.0
[M+Na-2H]- 189.053306 137.2
[M]+ 168.07809142 136.9
[M]- 168.07918858 136.9
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

patents stripe