CID 15752625

131719-68-1

Structural Information

Molecular Formula
C9H15Br
SMILES
C1CCC(CC1)/C=C/CBr
InChI
InChI=1S/C9H15Br/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+
InChIKey
OQDAFSPCBVBKNR-QPJJXVBHSA-N
Compound name
[(E)-3-bromoprop-1-enyl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

202.0357 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 141.1
[M+Na]+ 225.024918 149.2
[M-H]- 201.028424 146.2
[M+NH4]+ 220.069523 163.5
[M+K]+ 240.998858 138.4
[M+H-H2O]+ 185.032960 141.6
[M+HCOO]- 247.033901 159.2
[M+CH3COO]- 261.049551 181.7
[M+Na-2H]- 223.010366 147.2
[M]+ 202.03515142 154.7
[M]- 202.03624858 154.7
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