CID 134163121

1-(2-bromoethyl)-1-methylcyclobutane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1(CCC1)CCBr
InChI
InChI=1S/C7H13Br/c1-7(5-6-8)3-2-4-7/h2-6H2,1H3
InChIKey
VFBKDRMORUODOO-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-1-methylcyclobutane
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 123.7
[M+Na]+ 199.009288 133.6
[M-H]- 175.012794 130.1
[M+NH4]+ 194.053893 143.4
[M+K]+ 214.983228 126.7
[M+H-H2O]+ 159.017330 121.7
[M+HCOO]- 221.018271 143.6
[M+CH3COO]- 235.033921 182.2
[M+Na-2H]- 196.994736 132.9
[M]+ 176.01952142 149.2
[M]- 176.02061858 149.2
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.