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 146.2
[M+Na]+ 243.03550 155.5
[M-H]- 219.03900 148.8
[M+NH4]+ 238.08010 168.2
[M+K]+ 259.00944 145.4
[M+H-H2O]+ 203.04354 146.5
[M+HCOO]- 265.04448 165.0
[M+CH3COO]- 279.06013 189.2
[M+Na-2H]- 241.02095 150.2
[M]+ 220.04573 166.2
[M]- 220.04683 166.2
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