CID 5312742

2-hydroxy-10-undecenoic acid

Structural Information

Molecular Formula
C11H20O3
SMILES
C=CCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h2,10,12H,1,3-9H2,(H,13,14)
InChIKey
NOAFRVYUFCNMLG-UHFFFAOYSA-N
Compound name
2-hydroxyundec-10-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

200.14125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 150.0
[M+Na]+ 223.130468 154.4
[M-H]- 199.133974 146.6
[M+NH4]+ 218.175073 167.7
[M+K]+ 239.104408 152.1
[M+H-H2O]+ 183.138510 144.9
[M+HCOO]- 245.139451 168.2
[M+CH3COO]- 259.155101 182.8
[M+Na-2H]- 221.115916 150.8
[M]+ 200.14070142 150.9
[M]- 200.14179858 150.9
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