CID 138270

4-propyl-3-heptene

Structural Information

Molecular Formula
C10H20
SMILES
CCCC(=CCC)CCC
InChI
InChI=1S/C10H20/c1-4-7-10(8-5-2)9-6-3/h7H,4-6,8-9H2,1-3H3
InChIKey
JEVSSCXTVQHWCX-UHFFFAOYSA-N
Compound name
4-propylhept-3-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

67
Patents

140.1565 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 135.9
[M+Na]+ 163.145718 141.6
[M-H]- 139.149224 135.7
[M+NH4]+ 158.190323 157.9
[M+K]+ 179.119658 140.4
[M+H-H2O]+ 123.153760 131.3
[M+HCOO]- 185.154701 157.6
[M+CH3COO]- 199.170351 178.8
[M+Na-2H]- 161.131166 139.8
[M]+ 140.15595142 137.3
[M]- 140.15704858 137.3
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