CID 297067

Diallyl selenide

Structural Information

Molecular Formula
C6H10Se
SMILES
C=CC[Se]CC=C
InChI
InChI=1S/C6H10Se/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
InChIKey
XXDBAKGNWMUYCJ-UHFFFAOYSA-N
Compound name
3-prop-2-enylselanylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

161.99477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.00205 132.0
[M+Na]+ 184.98399 139.0
[M-H]- 160.98749 131.8
[M+NH4]+ 180.02859 155.0
[M+K]+ 200.95793 137.2
[M+H-H2O]+ 144.99203 127.3
[M+HCOO]- 206.99297 155.2
[M+CH3COO]- 221.00862 170.9
[M+Na-2H]- 182.96944 137.6
[M]+ 161.99422 132.4
[M]- 161.99532 132.4
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