CID 12207633

56311-38-7

Structural Information

Molecular Formula
C8H10O3
SMILES
CC(C)C1=CC=C(O1)C(=O)O
InChI
InChI=1S/C8H10O3/c1-5(2)6-3-4-7(11-6)8(9)10/h3-5H,1-2H3,(H,9,10)
InChIKey
MHKJSIZIOZVZMD-UHFFFAOYSA-N
Compound name
5-propan-2-ylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

154.06299 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 130.7
[M+Na]+ 177.052208 138.7
[M-H]- 153.055714 134.1
[M+NH4]+ 172.096813 151.6
[M+K]+ 193.026148 139.0
[M+H-H2O]+ 137.060250 126.1
[M+HCOO]- 199.061191 152.7
[M+CH3COO]- 213.076841 173.7
[M+Na-2H]- 175.037656 134.5
[M]+ 154.06244142 132.3
[M]- 154.06353858 132.3
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

patents stripe