CID 528707

2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1C(C(=O)C(=C1C)O)C
InChI
InChI=1S/C8H12O2/c1-4-5(2)7(9)8(10)6(4)3/h4-5,10H,1-3H3
InChIKey
RMXYMRMUZJILGN-UHFFFAOYSA-N
Compound name
2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

140.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 126.0
[M+Na]+ 163.072938 136.3
[M-H]- 139.076444 129.4
[M+NH4]+ 158.117543 149.8
[M+K]+ 179.046878 134.6
[M+H-H2O]+ 123.080980 122.4
[M+HCOO]- 185.081921 149.2
[M+CH3COO]- 199.097571 173.9
[M+Na-2H]- 161.058386 128.6
[M]+ 140.08317142 126.6
[M]- 140.08426858 126.6
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