CID 137944403

1-(bromomethyl)-3-tert-butylcyclobutane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC(C)(C)C1CC(C1)CBr
InChI
InChI=1S/C9H17Br/c1-9(2,3)8-4-7(5-8)6-10/h7-8H,4-6H2,1-3H3
InChIKey
CJVGNHAHUFMEGC-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-tert-butylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 134.6
[M+Na]+ 227.040578 144.2
[M-H]- 203.044084 140.8
[M+NH4]+ 222.085183 151.8
[M+K]+ 243.014518 137.0
[M+H-H2O]+ 187.048620 131.5
[M+HCOO]- 249.049561 152.3
[M+CH3COO]- 263.065211 188.7
[M+Na-2H]- 225.026026 141.4
[M]+ 204.05081142 160.0
[M]- 204.05190858 160.0
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.