CID 5282696

6-ethyl-tetradecanoic acid

Structural Information

Molecular Formula
C16H32O2
SMILES
CCCCCCCCC(CC)CCCCC(=O)O
InChI
InChI=1S/C16H32O2/c1-3-5-6-7-8-9-12-15(4-2)13-10-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
InChIKey
WIPVQZGTFMRAOK-UHFFFAOYSA-N
Compound name
6-ethyltetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

256.24023 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24751 171.0
[M+Na]+ 279.22945 173.5
[M-H]- 255.23295 168.2
[M+NH4]+ 274.27405 187.3
[M+K]+ 295.20339 171.0
[M+H-H2O]+ 239.23749 165.0
[M+HCOO]- 301.23843 188.7
[M+CH3COO]- 315.25408 199.3
[M+Na-2H]- 277.21490 169.6
[M]+ 256.23968 175.1
[M]- 256.24078 175.1
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