CID 5282613

(e)-2,4,6-trimethyltetracos-2-enoic acid

Structural Information

Molecular Formula
C27H52O2
SMILES
CCCCCCCCCCCCCCCCCCC(C)CC(C)/C=C(\C)/C(=O)O
InChI
InChI=1S/C27H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(4)27(28)29/h23-25H,5-22H2,1-4H3,(H,28,29)/b26-23+
InChIKey
SJZUAPDAKBPNQS-WNAAXNPUSA-N
Compound name
(E)-2,4,6-trimethyltetracos-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

408.39673 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.40401 219.4
[M+Na]+ 431.38595 217.3
[M-H]- 407.38945 214.7
[M+NH4]+ 426.43055 218.0
[M+K]+ 447.35989 212.4
[M+H-H2O]+ 391.39399 211.8
[M+HCOO]- 453.39493 219.2
[M+CH3COO]- 467.41058 231.8
[M+Na-2H]- 429.37140 209.8
[M]+ 408.39618 225.5
[M]- 408.39728 225.5
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