CID 5634

Undecylenic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
C=CCCCCCCCCC(=O)O
InChI
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
InChIKey
FRPZMMHWLSIFAZ-UHFFFAOYSA-N
Compound name
undec-10-enoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

329
References

84401
Patents

184.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 146.0
[M+Na]+ 207.135548 151.0
[M-H]- 183.139054 144.0
[M+NH4]+ 202.180153 165.2
[M+K]+ 223.109488 148.8
[M+H-H2O]+ 167.143590 140.9
[M+HCOO]- 229.144531 166.5
[M+CH3COO]- 243.160181 182.6
[M+Na-2H]- 205.120996 148.6
[M]+ 184.14578142 148.1
[M]- 184.14687858 148.1
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