CID 112166

2-ethyltridecanoic acid

Structural Information

Molecular Formula
C15H30O2
SMILES
CCCCCCCCCCCC(CC)C(=O)O
InChI
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14(4-2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKey
JOYFPRCUHVNXEU-UHFFFAOYSA-N
Compound name
2-ethyltridecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

327
Patents

242.22458 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.231856 166.5
[M+Na]+ 265.213798 169.4
[M-H]- 241.217304 163.8
[M+NH4]+ 260.258403 183.4
[M+K]+ 281.187738 167.1
[M+H-H2O]+ 225.221840 160.6
[M+HCOO]- 287.222781 184.5
[M+CH3COO]- 301.238431 196.3
[M+Na-2H]- 263.199246 165.6
[M]+ 242.22403142 170.1
[M]- 242.22512858 170.1
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