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]+ 177.027346 126.1
[M+Na]+ 199.009288 134.8
[M-H]- 175.012794 132.0
[M+NH4]+ 194.053893 143.8
[M+K]+ 214.983228 128.3
[M+H-H2O]+ 159.017330 122.5
[M+HCOO]- 221.018271 144.9
[M+CH3COO]- 235.033921 183.3
[M+Na-2H]- 196.994736 132.9
[M]+ 176.01952142 150.4
[M]- 176.02061858 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.