CID 557850

2-hexene, 4,4,5-trimethyl-

Structural Information

Molecular Formula
C9H18
SMILES
CC=CC(C)(C)C(C)C
InChI
InChI=1S/C9H18/c1-6-7-9(4,5)8(2)3/h6-8H,1-5H3
InChIKey
PRUCZTKBAPTGNR-UHFFFAOYSA-N
Compound name
4,4,5-trimethylhex-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

126.140854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.148130 130.1
[M+Na]+ 149.130072 136.8
[M-H]- 125.133578 130.5
[M+NH4]+ 144.174677 152.9
[M+K]+ 165.104012 136.2
[M+H-H2O]+ 109.138114 126.4
[M+HCOO]- 171.139055 150.7
[M+CH3COO]- 185.154705 176.0
[M+Na-2H]- 147.115520 135.2
[M]+ 126.14030542 130.7
[M]- 126.14140258 130.7
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.