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]+ 227.200556 160.5
[M+Na]+ 249.182498 164.1
[M-H]- 225.186004 158.3
[M+NH4]+ 244.227103 178.1
[M+K]+ 265.156438 161.9
[M+H-H2O]+ 209.190540 155.1
[M+HCOO]- 271.191481 178.1
[M+CH3COO]- 285.207131 192.6
[M+Na-2H]- 247.167946 159.1
[M]+ 226.19273142 162.4
[M]- 226.19382858 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