CID 12656857

3-(bromomethyl)-1,1-dimethylcyclobutane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1(CC(C1)CBr)C
InChI
InChI=1S/C7H13Br/c1-7(2)3-6(4-7)5-8/h6H,3-5H2,1-2H3
InChIKey
LXYGBCXUPQXFKM-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,1-dimethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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

literature stripe

Patent stripe

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