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

255
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

literature stripe

Patent stripe

patents stripe