CID 193373

2,6-dimethyloctanedioic acid

Structural Information

Molecular Formula
C10H18O4
SMILES
CC(CCCC(C)C(=O)O)CC(=O)O
InChI
InChI=1S/C10H18O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
YXTSFTNUPXGYDZ-UHFFFAOYSA-N
Compound name
2,6-dimethyloctanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

202.12051 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 148.1
[M+Na]+ 225.10973 152.4
[M-H]- 201.11323 145.1
[M+NH4]+ 220.15433 165.5
[M+K]+ 241.08367 152.0
[M+H-H2O]+ 185.11777 143.2
[M+HCOO]- 247.11871 164.9
[M+CH3COO]- 261.13436 183.7
[M+Na-2H]- 223.09518 147.0
[M]+ 202.11996 148.9
[M]- 202.12106 148.9
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