CID 6428785

2-hydroxy-3,4,4-trimethylcyclopent-2-enone

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1=C(C(=O)CC1(C)C)O
InChI
InChI=1S/C8H12O2/c1-5-7(10)6(9)4-8(5,2)3/h10H,4H2,1-3H3
InChIKey
LTRJTLUJZFBIEN-UHFFFAOYSA-N
Compound name
2-hydroxy-3,4,4-trimethylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

140.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 127.9
[M+Na]+ 163.07294 139.0
[M+NH4]+ 158.11754 137.6
[M+K]+ 179.04688 133.8
[M-H]- 139.07644 128.6
[M+Na-2H]- 161.05839 133.5
[M]+ 140.08317 129.7
[M]- 140.08427 129.7
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