CID 74683

1889-99-2

Structural Information

Molecular Formula
C9H13BrO2
SMILES
CC1(C(=C(C(=O)C1(C)C)O)Br)C
InChI
InChI=1S/C9H13BrO2/c1-8(2)6(10)5(11)7(12)9(8,3)4/h11H,1-4H3
InChIKey
ZAUGLWIVUJBQBG-UHFFFAOYSA-N
Compound name
3-bromo-2-hydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.00989 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01717 136.2
[M+Na]+ 254.99911 150.9
[M-H]- 231.00261 142.7
[M+NH4]+ 250.04371 163.6
[M+K]+ 270.97305 140.0
[M+H-H2O]+ 215.00715 139.9
[M+HCOO]- 277.00809 156.8
[M+CH3COO]- 291.02374 186.6
[M+Na-2H]- 252.98456 142.4
[M]+ 232.00934 156.5
[M]- 232.01044 156.5
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