CID 18970429

4-methyl-6-(2,4,4-trimethylpentyl)-2h-pyran-2-one

Structural Information

Molecular Formula
C14H22O2
SMILES
CC1=CC(=O)OC(=C1)CC(C)CC(C)(C)C
InChI
InChI=1S/C14H22O2/c1-10-6-12(16-13(15)8-10)7-11(2)9-14(3,4)5/h6,8,11H,7,9H2,1-5H3
InChIKey
LMCDKONPVQNISE-UHFFFAOYSA-N
Compound name
4-methyl-6-(2,4,4-trimethylpentyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

222.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 151.9
[M+Na]+ 245.15121 164.6
[M+NH4]+ 240.19581 159.5
[M+K]+ 261.12515 159.0
[M-H]- 221.15471 154.6
[M+Na-2H]- 243.13666 157.1
[M]+ 222.16144 154.6
[M]- 222.16254 154.6
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