CID 146677210

Ns00120584

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=CC(OC1=O)/C=C/C(=C)C
InChI
InChI=1S/C10H12O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-6,9H,1H2,2-3H3/b5-4+
InChIKey
BYSVXZRAUHFZDJ-SNAWJCMRSA-N
Compound name
4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08372 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 134.1
[M+Na]+ 187.072938 142.7
[M-H]- 163.076444 138.7
[M+NH4]+ 182.117543 155.7
[M+K]+ 203.046878 141.5
[M+H-H2O]+ 147.080980 129.7
[M+HCOO]- 209.081921 156.8
[M+CH3COO]- 223.097571 178.6
[M+Na-2H]- 185.058386 137.2
[M]+ 164.08317142 135.1
[M]- 164.08426858 135.1
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

No patent data available for this compound.