CID 137699006

1-(bromomethyl)-1,3-dimethylcyclobutane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1CC(C1)(C)CBr
InChI
InChI=1S/C7H13Br/c1-6-3-7(2,4-6)5-8/h6H,3-5H2,1-2H3
InChIKey
DGGSHTKLHFDASK-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1,3-dimethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.02007 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 130.7
[M+Na]+ 199.00929 129.7
[M+NH4]+ 194.05389 134.5
[M+K]+ 214.98323 129.6
[M-H]- 175.01279 129.1
[M+Na-2H]- 196.99474 132.7
[M]+ 176.01952 128.1
[M]- 176.02062 128.1
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