CID 116491405

(1-bromopropan-2-yl)cyclobutane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC(CBr)C1CCC1
InChI
InChI=1S/C7H13Br/c1-6(5-8)7-3-2-4-7/h6-7H,2-5H2,1H3
InChIKey
HBAMKCHDDSVRIH-UHFFFAOYSA-N
Compound name
1-bromopropan-2-ylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 126.1
[M+Na]+ 199.00929 134.8
[M-H]- 175.01279 132.0
[M+NH4]+ 194.05389 143.8
[M+K]+ 214.98323 128.3
[M+H-H2O]+ 159.01733 122.5
[M+HCOO]- 221.01827 144.9
[M+CH3COO]- 235.03392 183.3
[M+Na-2H]- 196.99474 132.9
[M]+ 176.01952 150.4
[M]- 176.02062 150.4
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.