CID 101407615

7-nonene-3,5-diyn-1-ol

Structural Information

Molecular Formula
C9H10O
SMILES
C/C=C/C#CC#CCCO
InChI
InChI=1S/C9H10O/c1-2-3-4-5-6-7-8-9-10/h2-3,10H,8-9H2,1H3/b3-2+
InChIKey
BPNAUFVEGQLPFM-NSCUHMNNSA-N
Compound name
(E)-non-7-en-3,5-diyn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

134.07317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.080446 142.0
[M+Na]+ 157.062388 151.8
[M-H]- 133.065894 142.3
[M+NH4]+ 152.106993 156.3
[M+K]+ 173.036328 148.0
[M+H-H2O]+ 117.070430 129.4
[M+HCOO]- 179.071371 151.3
[M+CH3COO]- 193.087021 200.3
[M+Na-2H]- 155.047836 144.3
[M]+ 134.07262142 133.8
[M]- 134.07371858 133.8
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

No patent data available for this compound.