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]+ 327.32576 194.1
[M+Na]+ 349.30770 194.3
[M-H]- 325.31120 190.3
[M+NH4]+ 344.35230 207.5
[M+K]+ 365.28164 190.9
[M+H-H2O]+ 309.31574 187.2
[M+HCOO]- 371.31668 209.1
[M+CH3COO]- 385.33233 215.0
[M+Na-2H]- 347.29315 188.8
[M]+ 326.31793 199.3
[M]- 326.31903 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