CID 5369078

3-ethyl, 4,4-dimethyl-2-pentene

Structural Information

Molecular Formula
C9H18
SMILES
CC/C(=C\C)/C(C)(C)C
InChI
InChI=1S/C9H18/c1-6-8(7-2)9(3,4)5/h6H,7H2,1-5H3/b8-6+
InChIKey
MNQIWYOURGVWDV-SOFGYWHQSA-N
Compound name
(E)-3-ethyl-4,4-dimethylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

126.140854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.148130 130.2
[M+Na]+ 149.130072 137.1
[M-H]- 125.133578 130.7
[M+NH4]+ 144.174677 153.1
[M+K]+ 165.104012 136.5
[M+H-H2O]+ 109.138114 126.7
[M+HCOO]- 171.139055 150.9
[M+CH3COO]- 185.154705 175.3
[M+Na-2H]- 147.115520 135.4
[M]+ 126.14030542 130.8
[M]- 126.14140258 130.8
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

patents stripe