CID 12352598

Nona-3,6-diyn-1-ol

Structural Information

Molecular Formula
C9H12O
SMILES
CCC#CCC#CCCO
InChI
InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h10H,2,5,8-9H2,1H3
InChIKey
ASBDYPIHQWUNHE-UHFFFAOYSA-N
Compound name
nona-3,6-diyn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

136.08882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 141.1
[M+Na]+ 159.07804 150.7
[M-H]- 135.08154 141.4
[M+NH4]+ 154.12264 155.4
[M+K]+ 175.05198 147.4
[M+H-H2O]+ 119.08608 128.4
[M+HCOO]- 181.08702 150.3
[M+CH3COO]- 195.10267 200.9
[M+Na-2H]- 157.06349 143.5
[M]+ 136.08827 133.4
[M]- 136.08937 133.4
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