CID 22600534

Schembl808468

Structural Information

Molecular Formula
C14H27Br
SMILES
CC/C=C/CCCCCCCCCCBr
InChI
InChI=1S/C14H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4H,2,5-14H2,1H3/b4-3+
InChIKey
SYAFMCQKFHDZMO-ONEGZZNKSA-N
Compound name
(E)-14-bromotetradec-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

274.1296 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13688 164.7
[M+Na]+ 297.11882 172.7
[M-H]- 273.12232 166.4
[M+NH4]+ 292.16342 185.0
[M+K]+ 313.09276 160.1
[M+H-H2O]+ 257.12686 164.3
[M+HCOO]- 319.12780 183.7
[M+CH3COO]- 333.14345 199.5
[M+Na-2H]- 295.10427 168.6
[M]+ 274.12905 186.4
[M]- 274.13015 186.4
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.