CID 79034

12-hydroxydodecanoic acid

Structural Information

Molecular Formula
C12H24O3
SMILES
C(CCCCCC(=O)O)CCCCCO
InChI
InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChIKey
ZDHCZVWCTKTBRY-UHFFFAOYSA-N
Compound name
12-hydroxydodecanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

44
References

24740
Patents

216.17255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 155.6
[M+Na]+ 239.16177 159.4
[M-H]- 215.16527 151.9
[M+NH4]+ 234.20637 172.8
[M+K]+ 255.13571 157.1
[M+H-H2O]+ 199.16981 150.1
[M+HCOO]- 261.17075 174.3
[M+CH3COO]- 275.18640 185.8
[M+Na-2H]- 237.14722 157.1
[M]+ 216.17200 158.3
[M]- 216.17310 158.3
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