CID 165768781

2168813-19-0

Structural Information

Molecular Formula
C9H15BrO
SMILES
C1CC2CCC(OC2C1)CBr
InChI
InChI=1S/C9H15BrO/c10-6-8-5-4-7-2-1-3-9(7)11-8/h7-9H,1-6H2
InChIKey
LXYVXOXAGWRFKV-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 147.1
[M+Na]+ 241.01984 156.1
[M-H]- 217.02334 153.7
[M+NH4]+ 236.06444 170.5
[M+K]+ 256.99378 147.1
[M+H-H2O]+ 201.02788 148.2
[M+HCOO]- 263.02882 163.5
[M+CH3COO]- 277.04447 183.8
[M+Na-2H]- 239.00529 152.6
[M]+ 218.03007 161.8
[M]- 218.03117 161.8
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.