CID 132353772

1,1-bis(bromomethyl)-3,3-dimethylcyclobutane

Structural Information

Molecular Formula
C8H14Br2
SMILES
CC1(CC(C1)(CBr)CBr)C
InChI
InChI=1S/C8H14Br2/c1-7(2)3-8(4-7,5-9)6-10/h3-6H2,1-2H3
InChIKey
MRQZQRJKPGXDIX-UHFFFAOYSA-N
Compound name
1,1-bis(bromomethyl)-3,3-dimethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.94623 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.953506 125.6
[M+Na]+ 290.935448 136.1
[M-H]- 266.938954 132.9
[M+NH4]+ 285.980053 144.3
[M+K]+ 306.909388 123.6
[M+H-H2O]+ 250.943490 132.9
[M+HCOO]- 312.944431 140.6
[M+CH3COO]- 326.960081 202.8
[M+Na-2H]- 288.920896 134.8
[M]+ 267.94568142 165.6
[M]- 267.94677858 165.6
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.