CID 12542071

2-bromo-1,1-dimethylcyclopropane

Structural Information

Molecular Formula
C5H9Br
SMILES
CC1(CC1Br)C
InChI
InChI=1S/C5H9Br/c1-5(2)3-4(5)6/h4H,3H2,1-2H3
InChIKey
JFZZKSOCMDLXPF-UHFFFAOYSA-N
Compound name
2-bromo-1,1-dimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

147.98875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99603 122.9
[M+Na]+ 170.97797 137.4
[M-H]- 146.98147 131.0
[M+NH4]+ 166.02257 145.3
[M+K]+ 186.95191 127.9
[M+H-H2O]+ 130.98601 124.5
[M+HCOO]- 192.98695 144.7
[M+CH3COO]- 207.00260 178.2
[M+Na-2H]- 168.96342 132.5
[M]+ 147.98820 143.3
[M]- 147.98930 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe