CID 177798711

1-(bromomethyl)-3-(2-methylpropyl)cyclobutane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC(C)CC1CC(C1)CBr
InChI
InChI=1S/C9H17Br/c1-7(2)3-8-4-9(5-8)6-10/h7-9H,3-6H2,1-2H3
InChIKey
NHWHAPLSUUXWQW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-(2-methylpropyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 135.1
[M+Na]+ 227.040578 143.8
[M-H]- 203.044084 141.0
[M+NH4]+ 222.085183 152.0
[M+K]+ 243.014518 136.7
[M+H-H2O]+ 187.048620 131.3
[M+HCOO]- 249.049561 153.2
[M+CH3COO]- 263.065211 189.7
[M+Na-2H]- 225.026026 140.1
[M]+ 204.05081142 160.4
[M]- 204.05190858 160.4
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.