CID 15145730

(e)-12-tetradecenoic acid

Structural Information

Molecular Formula
C14H26O2
SMILES
C/C=C/CCCCCCCCCCC(=O)O
InChI
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3H,4-13H2,1H3,(H,15,16)/b3-2+
InChIKey
DOPFRSWQQFJVHQ-NSCUHMNNSA-N
Compound name
(E)-tetradec-12-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

226.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 159.9
[M+Na]+ 249.182498 163.8
[M-H]- 225.186004 157.4
[M+NH4]+ 244.227103 177.5
[M+K]+ 265.156438 160.7
[M+H-H2O]+ 209.190540 154.2
[M+HCOO]- 271.191481 179.4
[M+CH3COO]- 285.207131 191.0
[M+Na-2H]- 247.167946 160.9
[M]+ 226.19273142 163.1
[M]- 226.19382858 163.1
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