CID 140439

Diethyl 2-((dimethylamino)methylene)malonate

Structural Information

Molecular Formula
C10H17NO4
SMILES
CCOC(=O)C(=CN(C)C)C(=O)OCC
InChI
InChI=1S/C10H17NO4/c1-5-14-9(12)8(7-11(3)4)10(13)15-6-2/h7H,5-6H2,1-4H3
InChIKey
XNSXXTKUKYWLAH-UHFFFAOYSA-N
Compound name
diethyl 2-(dimethylaminomethylidene)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

215.11575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 149.2
[M+Na]+ 238.10497 154.5
[M-H]- 214.10847 150.7
[M+NH4]+ 233.14957 168.2
[M+K]+ 254.07891 156.2
[M+H-H2O]+ 198.11301 143.4
[M+HCOO]- 260.11395 172.0
[M+CH3COO]- 274.12960 193.4
[M+Na-2H]- 236.09042 150.1
[M]+ 215.11520 154.1
[M]- 215.11630 154.1
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.