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]+ 301.23735 177.5
[M+Na]+ 323.21929 180.2
[M-H]- 299.22279 173.7
[M+NH4]+ 318.26389 191.3
[M+K]+ 339.19323 178.0
[M+H-H2O]+ 283.22733 172.7
[M+HCOO]- 345.22827 191.0
[M+CH3COO]- 359.24392 203.6
[M+Na-2H]- 321.20474 177.4
[M]+ 300.22952 181.3
[M]- 300.23062 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.