CID 5460247

(3s,4s)-3-hydroxytetradecane-1,3,4-tricarboxylic acid

Structural Information

Molecular Formula
C17H30O7
SMILES
CCCCCCCCCC[C@H](C(=O)O)[C@@](CCC(=O)O)(C(=O)O)O
InChI
InChI=1S/C17H30O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h13,24H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t13-,17+/m1/s1
InChIKey
QFOFNCNFUGQWTO-DYVFJYSZSA-N
Compound name
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

346.19916 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.20644 183.0
[M+Na]+ 369.18838 185.2
[M+NH4]+ 364.23298 189.7
[M+K]+ 385.16232 186.0
[M-H]- 345.19188 183.5
[M+Na-2H]- 367.17383 178.0
[M]+ 346.19861 180.1
[M]- 346.19971 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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