CID 33451

2,5-dimethyl-1-hexene

Structural Information

Molecular Formula
C8H16
SMILES
CC(C)CCC(=C)C
InChI
InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h8H,1,5-6H2,2-4H3
InChIKey
ISZWTVCVSJVEOL-UHFFFAOYSA-N
Compound name
2,5-dimethylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1322
Patents

112.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 126.4
[M+Na]+ 135.11442 132.7
[M-H]- 111.11792 126.7
[M+NH4]+ 130.15902 149.4
[M+K]+ 151.08836 132.5
[M+H-H2O]+ 95.122460 122.3
[M+HCOO]- 157.12340 147.8
[M+CH3COO]- 171.13905 174.2
[M+Na-2H]- 133.09987 130.2
[M]+ 112.12465 126.5
[M]- 112.12575 126.5
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