CID 31039

10-undecynoic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
C#CCCCCCCCCC(=O)O
InChI
InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)
InChIKey
OAOUTNMJEFWJPO-UHFFFAOYSA-N
Compound name
undec-10-ynoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

581
Patents

182.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 141.5
[M+Na]+ 205.11990 150.6
[M+NH4]+ 200.16450 144.7
[M+K]+ 221.09384 141.9
[M-H]- 181.12340 132.3
[M+Na-2H]- 203.10535 141.1
[M]+ 182.13013 139.1
[M]- 182.13123 139.1
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