CID 87986

19249-04-8

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CN(C)CCOC(=O)CCC(=O)OCCN(C)C
InChI
InChI=1S/C12H24N2O4/c1-13(2)7-9-17-11(15)5-6-12(16)18-10-8-14(3)4/h5-10H2,1-4H3
InChIKey
JSINVKLVDNFTSU-UHFFFAOYSA-N
Compound name
bis[2-(dimethylamino)ethyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

260.1736 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.180876 164.1
[M+Na]+ 283.162818 167.6
[M-H]- 259.166324 166.4
[M+NH4]+ 278.207423 181.5
[M+K]+ 299.136758 170.3
[M+H-H2O]+ 243.170860 156.9
[M+HCOO]- 305.171801 188.4
[M+CH3COO]- 319.187451 208.6
[M+Na-2H]- 281.148266 164.6
[M]+ 260.17305142 171.5
[M]- 260.17414858 171.5
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