CID 8004

1-pentene

Structural Information

Molecular Formula
C5H10
SMILES
CCCC=C
InChI
InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
InChIKey
YWAKXRMUMFPDSH-UHFFFAOYSA-N
Compound name
pent-1-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

139
References

142504
Patents

70.07825 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.085526 111.9
[M+Na]+ 93.067468 119.8
[M-H]- 69.070974 112.5
[M+NH4]+ 88.112073 136.6
[M+K]+ 109.04141 119.6
[M+H-H2O]+ 53.075510 108.2
[M+HCOO]- 115.07645 136.2
[M+CH3COO]- 129.09210 163.5
[M+Na-2H]- 91.052916 119.9
[M]+ 70.077701 112.1
[M]- 70.078799 112.1
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