CID 357785

3-bromo-2-methyl-1-propene

Structural Information

Molecular Formula
C4H7Br
SMILES
CC(=C)CBr
InChI
InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3
InChIKey
USEGQJLHQSTGHW-UHFFFAOYSA-N
Compound name
3-bromo-2-methylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6399
Patents

133.97311 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.98039 119.3
[M+Na]+ 156.96233 130.9
[M-H]- 132.96583 122.8
[M+NH4]+ 152.00693 144.7
[M+K]+ 172.93627 121.4
[M+H-H2O]+ 116.97037 120.9
[M+HCOO]- 178.97131 140.5
[M+CH3COO]- 192.98696 172.6
[M+Na-2H]- 154.94778 127.4
[M]+ 133.97256 136.9
[M]- 133.97366 136.9
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