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]+ 167.10666 133.9
[M+Na]+ 189.08860 143.6
[M-H]- 165.09210 139.1
[M+NH4]+ 184.13320 155.9
[M+K]+ 205.06254 143.5
[M+H-H2O]+ 149.09664 130.0
[M+HCOO]- 211.09758 157.1
[M+CH3COO]- 225.11323 179.5
[M+Na-2H]- 187.07405 140.0
[M]+ 166.09883 138.0
[M]- 166.09993 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