CID 548892

1,4-pentadiene, 3-propyl-

Structural Information

Molecular Formula
C8H14
SMILES
CCCC(C=C)C=C
InChI
InChI=1S/C8H14/c1-4-7-8(5-2)6-3/h5-6,8H,2-4,7H2,1H3
InChIKey
CTKMVHNUVMUYCS-UHFFFAOYSA-N
Compound name
3-ethenylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

110.10955 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.116826 124.6
[M+Na]+ 133.098768 131.4
[M-H]- 109.102274 124.8
[M+NH4]+ 128.143373 147.6
[M+K]+ 149.072708 130.1
[M+H-H2O]+ 93.106810 120.5
[M+HCOO]- 155.107751 147.2
[M+CH3COO]- 169.123401 172.4
[M+Na-2H]- 131.084216 129.7
[M]+ 110.10900142 124.6
[M]- 110.11009858 124.6
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