CID 8180

Undecanoic acid

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCCCCCCCCC(=O)O
InChI
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey
ZDPHROOEEOARMN-UHFFFAOYSA-N
Compound name
undecanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

176
References

79915
Patents

186.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16927 147.6
[M+Na]+ 209.15121 152.4
[M-H]- 185.15471 145.6
[M+NH4]+ 204.19581 166.8
[M+K]+ 225.12515 150.7
[M+H-H2O]+ 169.15925 142.4
[M+HCOO]- 231.16019 168.0
[M+CH3COO]- 245.17584 183.5
[M+Na-2H]- 207.13666 150.2
[M]+ 186.16144 150.4
[M]- 186.16254 150.4
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