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]+ 135.08045 142.0
[M+Na]+ 157.06239 151.8
[M-H]- 133.06589 142.3
[M+NH4]+ 152.10699 156.3
[M+K]+ 173.03633 148.0
[M+H-H2O]+ 117.07043 129.4
[M+HCOO]- 179.07137 151.3
[M+CH3COO]- 193.08702 200.3
[M+Na-2H]- 155.04784 144.3
[M]+ 134.07262 133.8
[M]- 134.07372 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.