CID 89560

1-nonen-3-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CCCCCCC(C=C)O
InChI
InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3
InChIKey
DWUPJMHAPOQKGJ-UHFFFAOYSA-N
Compound name
non-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

473
Patents

142.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 135.3
[M+Na]+ 165.12499 141.0
[M-H]- 141.12849 133.8
[M+NH4]+ 160.16959 156.4
[M+K]+ 181.09893 139.4
[M+H-H2O]+ 125.13303 130.8
[M+HCOO]- 187.13397 156.1
[M+CH3COO]- 201.14962 175.5
[M+Na-2H]- 163.11044 139.1
[M]+ 142.13522 135.9
[M]- 142.13632 135.9
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