CID 130554717

2-bromo-1,1-dimethylcyclobutane

Structural Information

Molecular Formula
C6H11Br
SMILES
CC1(CCC1Br)C
InChI
InChI=1S/C6H11Br/c1-6(2)4-3-5(6)7/h5H,3-4H2,1-2H3
InChIKey
APADGWMBCYQUIY-UHFFFAOYSA-N
Compound name
2-bromo-1,1-dimethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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

No literature data available for this compound.

Patent stripe

patents stripe