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]+ 203.04298 117.1
[M+Na]+ 225.02492 124.4
[M-H]- 201.02842 125.3
[M+NH4]+ 220.06952 127.4
[M+K]+ 240.99886 120.7
[M+H-H2O]+ 185.03296 109.7
[M+HCOO]- 247.03390 134.1
[M+CH3COO]- 261.04955 195.9
[M+Na-2H]- 223.01037 124.1
[M]+ 202.03515 146.4
[M]- 202.03625 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.