CID 54717357

Fumigermin

Structural Information

Molecular Formula
C11H14O3
SMILES
C/C=C(\C)/C1=C(C(=C(C(=O)O1)C)O)C
InChI
InChI=1S/C11H14O3/c1-5-6(2)10-7(3)9(12)8(4)11(13)14-10/h5,12H,1-4H3/b6-5+
InChIKey
FBHONFXHWOMMPP-AATRIKPKSA-N
Compound name
6-[(E)-but-2-en-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 138.6
[M+Na]+ 217.083518 148.9
[M-H]- 193.087024 142.9
[M+NH4]+ 212.128123 157.3
[M+K]+ 233.057458 147.6
[M+H-H2O]+ 177.091560 133.7
[M+HCOO]- 239.092501 160.2
[M+CH3COO]- 253.108151 184.2
[M+Na-2H]- 215.068966 142.4
[M]+ 194.09375142 141.9
[M]- 194.09484858 141.9
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