CID 11159413

115913-30-9

Structural Information

Molecular Formula
C9H12O2
SMILES
CC(=O)C12CC(C1)(C2)C(=O)C
InChI
InChI=1S/C9H12O2/c1-6(10)8-3-9(4-8,5-8)7(2)11/h3-5H2,1-2H3
InChIKey
VBZKYGFCGJCPCT-UHFFFAOYSA-N
Compound name
1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

152.08372 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 155.0
[M+Na]+ 175.07294 158.6
[M-H]- 151.07644 158.3
[M+NH4]+ 170.11754 161.7
[M+K]+ 191.04688 164.5
[M+H-H2O]+ 135.08098 142.7
[M+HCOO]- 197.08192 166.9
[M+CH3COO]- 211.09757 206.8
[M+Na-2H]- 173.05839 159.7
[M]+ 152.08317 179.8
[M]- 152.08427 179.8
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

No patent data available for this compound.