CID 534311

6-nonynoic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
CCC#CCCCCC(=O)O
InChI
InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2,5-8H2,1H3,(H,10,11)
InChIKey
JYHVTTAHMRXBQX-UHFFFAOYSA-N
Compound name
non-6-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

154.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 133.9
[M+Na]+ 177.08860 142.3
[M-H]- 153.09210 132.2
[M+NH4]+ 172.13320 152.3
[M+K]+ 193.06254 140.1
[M+H-H2O]+ 137.09664 123.5
[M+HCOO]- 199.09758 149.8
[M+CH3COO]- 213.11323 183.3
[M+Na-2H]- 175.07405 137.4
[M]+ 154.09883 129.9
[M]- 154.09993 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.