CID 3084276

14-hydroxytetradecanoic acid

Structural Information

Molecular Formula
C14H28O3
SMILES
C(CCCCCCC(=O)O)CCCCCCO
InChI
InChI=1S/C14H28O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h15H,1-13H2,(H,16,17)
InChIKey
JOSXCARTDOQGLV-UHFFFAOYSA-N
Compound name
14-hydroxytetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1439
Patents

244.20384 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.21112 164.6
[M+Na]+ 267.19306 167.6
[M-H]- 243.19656 160.5
[M+NH4]+ 262.23766 180.6
[M+K]+ 283.16700 164.7
[M+H-H2O]+ 227.20110 158.7
[M+HCOO]- 289.20204 182.6
[M+CH3COO]- 303.21769 191.8
[M+Na-2H]- 265.17851 165.1
[M]+ 244.20329 168.0
[M]- 244.20439 168.0
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