CID 5282740

5-tetradecenoic acid

Structural Information

Molecular Formula
C14H26O2
SMILES
CCCCCCCC/C=C/CCCC(=O)O
InChI
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9+
InChIKey
AFGUVBVUFZMJMX-MDZDMXLPSA-N
Compound name
(E)-tetradec-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1170
Patents

226.19328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 159.0
[M+Na]+ 249.18250 167.2
[M+NH4]+ 244.22710 164.9
[M+K]+ 265.15644 160.3
[M-H]- 225.18600 157.0
[M+Na-2H]- 247.16795 159.9
[M]+ 226.19273 159.2
[M]- 226.19383 159.2
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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