CID 3069696

2,10-diethyl-2,10-dimethylundecanedioic acid

Structural Information

Molecular Formula
C17H32O4
SMILES
CCC(C)(CCCCCCCC(C)(CC)C(=O)O)C(=O)O
InChI
InChI=1S/C17H32O4/c1-5-16(3,14(18)19)12-10-8-7-9-11-13-17(4,6-2)15(20)21/h5-13H2,1-4H3,(H,18,19)(H,20,21)
InChIKey
RZLJOODBPHKSCF-UHFFFAOYSA-N
Compound name
2,10-diethyl-2,10-dimethylundecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.23007 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.237346 177.5
[M+Na]+ 323.219288 180.2
[M-H]- 299.222794 173.7
[M+NH4]+ 318.263893 191.3
[M+K]+ 339.193228 178.0
[M+H-H2O]+ 283.227330 172.7
[M+HCOO]- 345.228271 191.0
[M+CH3COO]- 359.243921 203.6
[M+Na-2H]- 321.204736 177.4
[M]+ 300.22952142 181.3
[M]- 300.23061858 181.3
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

No patent data available for this compound.