CID 5282614

2,6-dimethyl-nonadecanoic acid

Structural Information

Molecular Formula
C21H42O2
SMILES
CCCCCCCCCCCCCC(C)CCCC(C)C(=O)O
InChI
InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18-20(3)21(22)23/h19-20H,4-18H2,1-3H3,(H,22,23)
InChIKey
HYMJVTSGFBXLEJ-UHFFFAOYSA-N
Compound name
2,6-dimethylnonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

326.31848 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.325756 194.1
[M+Na]+ 349.307698 194.3
[M-H]- 325.311204 190.3
[M+NH4]+ 344.352303 207.5
[M+K]+ 365.281638 190.9
[M+H-H2O]+ 309.315740 187.2
[M+HCOO]- 371.316681 209.1
[M+CH3COO]- 385.332331 215.0
[M+Na-2H]- 347.293146 188.8
[M]+ 326.31793142 199.3
[M]- 326.31902858 199.3
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