CID 5357252

5-methyl-2-hexene

Structural Information

Molecular Formula

C₇H₁₄

SMILES

C/C=C/CC(C)C

InChI

InChI=1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+

InChIKey

GHBKCPRDHLITSE-SNAWJCMRSA-N

Compound name

(E)-5-methylhex-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 316
Patents: 98.10955 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	99.116826	122.2
[M+Na]+	121.09877	133.3
[M+NH4]+	116.14337	131.1
[M+K]+	137.07271	126.8
[M-H]-	97.102274	122.5
[M+Na-2H]-	119.08422	126.7
[M]+	98.109001	123.7
[M]-	98.110099	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe