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]+ 268.95351 125.6
[M+Na]+ 290.93545 136.1
[M-H]- 266.93895 132.9
[M+NH4]+ 285.98005 144.3
[M+K]+ 306.90939 123.6
[M+H-H2O]+ 250.94349 132.9
[M+HCOO]- 312.94443 140.6
[M+CH3COO]- 326.96008 202.8
[M+Na-2H]- 288.92090 134.8
[M]+ 267.94568 165.6
[M]- 267.94678 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.