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]+ 205.05864 134.6
[M+Na]+ 227.04058 144.2
[M-H]- 203.04408 140.8
[M+NH4]+ 222.08518 151.8
[M+K]+ 243.01452 137.0
[M+H-H2O]+ 187.04862 131.5
[M+HCOO]- 249.04956 152.3
[M+CH3COO]- 263.06521 188.7
[M+Na-2H]- 225.02603 141.4
[M]+ 204.05081 160.0
[M]- 204.05191 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.