CID 6326763

(2s)-2-hydroxyphytanic acid

Structural Information

Molecular Formula
C20H40O3
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)[C@@H](C(=O)O)O
InChI
InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/t16?,17?,18?,19-/m0/s1
InChIKey
CGKMKXBKVBXUGK-LFVBFMBRSA-N
Compound name
(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

173
Patents

328.29776 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.30504 192.7
[M+Na]+ 351.28698 192.3
[M-H]- 327.29048 188.0
[M+NH4]+ 346.33158 205.0
[M+K]+ 367.26092 190.5
[M+H-H2O]+ 311.29502 186.5
[M+HCOO]- 373.29596 203.8
[M+CH3COO]- 387.31161 214.0
[M+Na-2H]- 349.27243 183.8
[M]+ 328.29721 195.2
[M]- 328.29831 195.2
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