CID 5463460

2,2,5,5-tetramethylhex-3-ene

Structural Information

Molecular Formula
C10H20
SMILES
CC(C)(C)/C=C/C(C)(C)C
InChI
InChI=1S/C10H20/c1-9(2,3)7-8-10(4,5)6/h7-8H,1-6H3/b8-7+
InChIKey
UYWLQEPMPVDASH-BQYQJAHWSA-N
Compound name
(E)-2,2,5,5-tetramethylhex-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

484
Patents

140.1565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 134.1
[M+Na]+ 163.145718 141.3
[M-H]- 139.149224 134.7
[M+NH4]+ 158.190323 156.7
[M+K]+ 179.119658 140.4
[M+H-H2O]+ 123.153760 130.9
[M+HCOO]- 185.154701 153.8
[M+CH3COO]- 199.170351 177.3
[M+Na-2H]- 161.131166 140.7
[M]+ 140.15595142 135.1
[M]- 140.15704858 135.1
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