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]+ 221.053556 146.2
[M+Na]+ 243.035498 155.5
[M-H]- 219.039004 148.8
[M+NH4]+ 238.080103 168.2
[M+K]+ 259.009438 145.4
[M+H-H2O]+ 203.043540 146.5
[M+HCOO]- 265.044481 165.0
[M+CH3COO]- 279.060131 189.2
[M+Na-2H]- 241.020946 150.2
[M]+ 220.04573142 166.2
[M]- 220.04682858 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