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]+ 177.02735 123.7
[M+Na]+ 199.00929 133.6
[M-H]- 175.01279 130.1
[M+NH4]+ 194.05389 143.4
[M+K]+ 214.98323 126.7
[M+H-H2O]+ 159.01733 121.7
[M+HCOO]- 221.01827 143.6
[M+CH3COO]- 235.03392 182.2
[M+Na-2H]- 196.99474 132.9
[M]+ 176.01952 149.2
[M]- 176.02062 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.