CID 12207649

38071-66-8

Structural Information

Molecular Formula
C9H12O3
SMILES
CC(C)C1=CC=C(O1)C(=O)OC
InChI
InChI=1S/C9H12O3/c1-6(2)7-4-5-8(12-7)9(10)11-3/h4-6H,1-3H3
InChIKey
ZWAVSQBEMICJOQ-UHFFFAOYSA-N
Compound name
methyl 5-propan-2-ylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

168.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 134.8
[M+Na]+ 191.06786 142.9
[M-H]- 167.07136 139.5
[M+NH4]+ 186.11246 156.0
[M+K]+ 207.04180 143.9
[M+H-H2O]+ 151.07590 129.9
[M+HCOO]- 213.07684 158.0
[M+CH3COO]- 227.09249 178.7
[M+Na-2H]- 189.05331 138.6
[M]+ 168.07809 138.7
[M]- 168.07919 138.7
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