CID 2734658

(bromomethyl)cyclobutane

Structural Information

Molecular Formula
C5H9Br
SMILES
C1CC(C1)CBr
InChI
InChI=1S/C5H9Br/c6-4-5-2-1-3-5/h5H,1-4H2
InChIKey
FLHFTXCMKFVKRP-UHFFFAOYSA-N
Compound name
bromomethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4400
Patents

147.98875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99603 114.5
[M+Na]+ 170.97797 124.3
[M-H]- 146.98147 120.7
[M+NH4]+ 166.02257 133.3
[M+K]+ 186.95191 117.9
[M+H-H2O]+ 130.98601 111.5
[M+HCOO]- 192.98695 134.9
[M+CH3COO]- 207.00260 177.1
[M+Na-2H]- 168.96342 123.8
[M]+ 147.98820 138.8
[M]- 147.98930 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe