CID 125454260

1-(bromomethyl)-3-cyclopropylcyclobutane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC1C2CC(C2)CBr
InChI
InChI=1S/C8H13Br/c9-5-6-3-8(4-6)7-1-2-7/h6-8H,1-5H2
InChIKey
QGZMBLPHXITEQW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-cyclopropylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 125.1
[M+Na]+ 211.00929 136.4
[M-H]- 187.01279 134.9
[M+NH4]+ 206.05389 138.5
[M+K]+ 226.98323 128.9
[M+H-H2O]+ 171.01733 120.9
[M+HCOO]- 233.01827 145.2
[M+CH3COO]- 247.03392 188.0
[M+Na-2H]- 208.99474 132.8
[M]+ 188.01952 150.7
[M]- 188.02062 150.7
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

No patent data available for this compound.