CID 78335

2-methyl-1-octene

Structural Information

Molecular Formula
C9H18
SMILES
CCCCCCC(=C)C
InChI
InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h2,4-8H2,1,3H3
InChIKey
FBEDQPGLIKZGIN-UHFFFAOYSA-N
Compound name
2-methyloct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1247
Patents

126.140854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.148130 131.0
[M+Na]+ 149.130072 137.1
[M-H]- 125.133578 131.0
[M+NH4]+ 144.174677 153.5
[M+K]+ 165.104012 136.1
[M+H-H2O]+ 109.138114 126.6
[M+HCOO]- 171.139055 153.1
[M+CH3COO]- 185.154705 176.4
[M+Na-2H]- 147.115520 135.5
[M]+ 126.14030542 132.1
[M]- 126.14140258 132.1
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