CID 11964436

4-bromononan-5-one

Structural Information

Molecular Formula
C9H17BrO
SMILES
CCCCC(=O)C(CCC)Br
InChI
InChI=1S/C9H17BrO/c1-3-5-7-9(11)8(10)6-4-2/h8H,3-7H2,1-2H3
InChIKey
XNHZLGIYTMXPSA-UHFFFAOYSA-N
Compound name
4-bromononan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04628 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05356 143.5
[M+Na]+ 243.03550 144.3
[M+NH4]+ 238.08010 147.6
[M+K]+ 259.00944 144.6
[M-H]- 219.03900 141.7
[M+Na-2H]- 241.02095 143.8
[M]+ 220.04573 141.7
[M]- 220.04683 141.7
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