CID 45934091

7r-hydroxy-hexadecanoic acid

Structural Information

Molecular Formula
C16H32O3
SMILES
CCCCCCCCC[C@H](CCCCCC(=O)O)O
InChI
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
InChIKey
PHFQJBDKBCFMOS-OAHLLOKOSA-N
Compound name
(7R)-7-hydroxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

272.23514 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.24242 174.3
[M+Na]+ 295.22436 176.2
[M-H]- 271.22786 169.9
[M+NH4]+ 290.26896 189.1
[M+K]+ 311.19830 173.3
[M+H-H2O]+ 255.23240 168.2
[M+HCOO]- 317.23334 190.7
[M+CH3COO]- 331.24899 198.6
[M+Na-2H]- 293.20981 172.4
[M]+ 272.23459 177.8
[M]- 272.23569 177.8
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