CID 5282697

2,4-dimethyl-tetradecanoic acid

Structural Information

Molecular Formula
C16H32O2
SMILES
CCCCCCCCCCC(C)CC(C)C(=O)O
InChI
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
InChIKey
ZFUWGIZDTXJFSP-UHFFFAOYSA-N
Compound name
2,4-dimethyltetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

256.24023 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.247506 171.3
[M+Na]+ 279.229448 173.6
[M-H]- 255.232954 168.6
[M+NH4]+ 274.274053 187.6
[M+K]+ 295.203388 171.6
[M+H-H2O]+ 239.237490 165.4
[M+HCOO]- 301.238431 188.0
[M+CH3COO]- 315.254081 200.2
[M+Na-2H]- 277.214896 168.7
[M]+ 256.23968142 174.7
[M]- 256.24077858 174.7
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