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
1
Annotation Hits

0
References

590
Patents

98.10955 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 121.8
[M+Na]+ 121.098768 128.8
[M-H]- 97.102274 122.2
[M+NH4]+ 116.143373 145.5
[M+K]+ 137.072708 128.4
[M+H-H2O]+ 81.106810 117.8
[M+HCOO]- 143.107751 144.5
[M+CH3COO]- 157.123401 169.7
[M+Na-2H]- 119.084216 127.4
[M]+ 98.10900142 122.1
[M]- 98.11009858 122.1
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