CID 5312348

2,4,6,8-tetramethyldecanoic acid

Structural Information

Molecular Formula
C14H28O2
SMILES
CCC(C)CC(C)CC(C)CC(C)C(=O)O
InChI
InChI=1S/C14H28O2/c1-6-10(2)7-11(3)8-12(4)9-13(5)14(15)16/h10-13H,6-9H2,1-5H3,(H,15,16)
InChIKey
PXMIDIKFWCXFNC-UHFFFAOYSA-N
Compound name
2,4,6,8-tetramethyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

77
Patents

228.20892 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21620 161.6
[M+Na]+ 251.19814 164.4
[M-H]- 227.20164 159.5
[M+NH4]+ 246.24274 179.0
[M+K]+ 267.17208 163.9
[M+H-H2O]+ 211.20618 156.4
[M+HCOO]- 273.20712 177.1
[M+CH3COO]- 287.22277 196.1
[M+Na-2H]- 249.18359 157.7
[M]+ 228.20837 163.0
[M]- 228.20947 163.0
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