CID 145874450

1-(bromomethyl)-3-cyclobutylcyclobutane

Structural Information

Molecular Formula
C9H15Br
SMILES
C1CC(C1)C2CC(C2)CBr
InChI
InChI=1S/C9H15Br/c10-6-7-4-9(5-7)8-2-1-3-8/h7-9H,1-6H2
InChIKey
YBSMHMNWSOVQCX-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-cyclobutylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 117.1
[M+Na]+ 225.024918 124.4
[M-H]- 201.028424 125.3
[M+NH4]+ 220.069523 127.4
[M+K]+ 240.998858 120.7
[M+H-H2O]+ 185.032960 109.7
[M+HCOO]- 247.033901 134.1
[M+CH3COO]- 261.049551 195.9
[M+Na-2H]- 223.010366 124.1
[M]+ 202.03515142 146.4
[M]- 202.03624858 146.4
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.