CID 15867660

3-bromo-1,1-dimethylcyclobutane

Structural Information

Molecular Formula
C6H11Br
SMILES
CC1(CC(C1)Br)C
InChI
InChI=1S/C6H11Br/c1-6(2)3-5(7)4-6/h5H,3-4H2,1-2H3
InChIKey
YBYISQCMNIWGQJ-UHFFFAOYSA-N
Compound name
3-bromo-1,1-dimethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

162.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 118.3
[M+Na]+ 184.99363 129.4
[M-H]- 160.99713 125.3
[M+NH4]+ 180.03823 138.8
[M+K]+ 200.96757 122.7
[M+H-H2O]+ 145.00167 116.7
[M+HCOO]- 207.00261 138.5
[M+CH3COO]- 221.01826 180.4
[M+Na-2H]- 182.97908 127.5
[M]+ 162.00386 143.7
[M]- 162.00496 143.7
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