CID 90318667

6-(bromomethyl)spiro[2.5]octane

Structural Information

Molecular Formula
C9H15Br
SMILES
C1CC2(CCC1CBr)CC2
InChI
InChI=1S/C9H15Br/c10-7-8-1-3-9(4-2-8)5-6-9/h8H,1-7H2
InChIKey
IIFZLQXNYVVXGM-UHFFFAOYSA-N
Compound name
6-(bromomethyl)spiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

202.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 141.5
[M+Na]+ 225.024918 152.7
[M-H]- 201.028424 150.2
[M+NH4]+ 220.069523 161.7
[M+K]+ 240.998858 143.0
[M+H-H2O]+ 185.032960 142.3
[M+HCOO]- 247.033901 159.7
[M+CH3COO]- 261.049551 184.9
[M+Na-2H]- 223.010366 149.4
[M]+ 202.03515142 157.5
[M]- 202.03624858 157.5
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