CID 15607564

9-bromononan-2-one

Structural Information

Molecular Formula
C9H17BrO
SMILES
CC(=O)CCCCCCCBr
InChI
InChI=1S/C9H17BrO/c1-9(11)7-5-3-2-4-6-8-10/h2-8H2,1H3
InChIKey
KDQADQYAIVDJNP-UHFFFAOYSA-N
Compound name
9-bromononan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

220.04628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05356 144.7
[M+Na]+ 243.03550 145.8
[M+NH4]+ 238.08010 148.9
[M+K]+ 259.00944 145.3
[M-H]- 219.03900 143.0
[M+Na-2H]- 241.02095 145.2
[M]+ 220.04573 143.0
[M]- 220.04683 143.0
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