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
2
Annotation Hits

7
References

1525
Patents

244.20384 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.211116 164.6
[M+Na]+ 267.193058 167.6
[M-H]- 243.196564 160.5
[M+NH4]+ 262.237663 180.6
[M+K]+ 283.166998 164.7
[M+H-H2O]+ 227.201100 158.7
[M+HCOO]- 289.202041 182.6
[M+CH3COO]- 303.217691 191.8
[M+Na-2H]- 265.178506 165.1
[M]+ 244.20329142 168.0
[M]- 244.20438858 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