CID 46779063

Dimethyl 2-(2-methylbutyl)malonate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12051 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 146.6
[M+Na]+ 225.10973 152.0
[M-H]- 201.11323 146.6
[M+NH4]+ 220.15433 165.7
[M+K]+ 241.08367 153.4
[M+H-H2O]+ 185.11777 141.5
[M+HCOO]- 247.11871 166.6
[M+CH3COO]- 261.13436 187.5
[M+Na-2H]- 223.09518 146.8
[M]+ 202.11996 151.2
[M]- 202.12106 151.2
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.