CID 31285

1-nonene

Structural Information

Molecular Formula
C9H18
SMILES
CCCCCCCC=C
InChI
InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
InChIKey
JRZJOMJEPLMPRA-UHFFFAOYSA-N
Compound name
non-1-ene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

30
References

232467
Patents

126.140854 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 130.5
[M+Na]+ 149.13007 136.9
[M-H]- 125.13358 130.4
[M+NH4]+ 144.17468 153.1
[M+K]+ 165.10401 135.5
[M+H-H2O]+ 109.13811 126.1
[M+HCOO]- 171.13906 153.6
[M+CH3COO]- 185.15470 175.7
[M+Na-2H]- 147.11552 136.3
[M]+ 126.14031 132.3
[M]- 126.14140 132.3
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