CID 14372773

1-bromo-3-methylcyclobutane

Structural Information

Molecular Formula
C5H9Br
SMILES
CC1CC(C1)Br
InChI
InChI=1S/C5H9Br/c1-4-2-5(6)3-4/h4-5H,2-3H2,1H3
InChIKey
DMOUTVAELOBPGU-UHFFFAOYSA-N
Compound name
1-bromo-3-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 114.1
[M+Na]+ 170.97797 124.8
[M-H]- 146.98147 120.8
[M+NH4]+ 166.02257 133.3
[M+K]+ 186.95191 118.4
[M+H-H2O]+ 130.98601 111.3
[M+HCOO]- 192.98695 134.6
[M+CH3COO]- 207.00260 178.1
[M+Na-2H]- 168.96342 122.9
[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

No literature data available for this compound.

Patent stripe

patents stripe