CID 5282671

2,4-dimethyl-2e-dodecenoic acid

Structural Information

Molecular Formula
C14H26O2
SMILES
CCCCCCCCC(C)/C=C(\C)/C(=O)O
InChI
InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-12(2)11-13(3)14(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)/b13-11+
InChIKey
OHVNJWXMFIBONR-ACCUITESSA-N
Compound name
(E)-2,4-dimethyldodec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

226.19328 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 160.5
[M+Na]+ 249.18250 164.1
[M-H]- 225.18600 158.3
[M+NH4]+ 244.22710 178.1
[M+K]+ 265.15644 161.9
[M+H-H2O]+ 209.19054 155.1
[M+HCOO]- 271.19148 178.1
[M+CH3COO]- 285.20713 192.6
[M+Na-2H]- 247.16795 159.1
[M]+ 226.19273 162.4
[M]- 226.19383 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe