CID 57437981

5-tert-butyl-2-methylfuran-3-carbaldehyde

Structural Information

Molecular Formula
C10H14O2
SMILES
CC1=C(C=C(O1)C(C)(C)C)C=O
InChI
InChI=1S/C10H14O2/c1-7-8(6-11)5-9(12-7)10(2,3)4/h5-6H,1-4H3
InChIKey
QTCBSIMAOCECDB-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-methylfuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

166.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.106656 133.9
[M+Na]+ 189.088598 143.6
[M-H]- 165.092104 139.1
[M+NH4]+ 184.133203 155.9
[M+K]+ 205.062538 143.5
[M+H-H2O]+ 149.096640 130.0
[M+HCOO]- 211.097581 157.1
[M+CH3COO]- 225.113231 179.5
[M+Na-2H]- 187.074046 140.0
[M]+ 166.09883142 138.0
[M]- 166.09992858 138.0
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