CID 13670223

96804-13-6

Structural Information

Molecular Formula
C10H19N3O5
SMILES
CNC(=O)N(C(CC(=O)OC)C(=O)OC)N(C)C
InChI
InChI=1S/C10H19N3O5/c1-11-10(16)13(12(2)3)7(9(15)18-5)6-8(14)17-4/h7H,6H2,1-5H3,(H,11,16)
InChIKey
VAXDAARISXUACJ-UHFFFAOYSA-N
Compound name
dimethyl 2-[dimethylamino(methylcarbamoyl)amino]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.13248 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13976 160.2
[M+Na]+ 284.12170 163.5
[M-H]- 260.12520 163.0
[M+NH4]+ 279.16630 176.9
[M+K]+ 300.09564 167.9
[M+H-H2O]+ 244.12974 153.0
[M+HCOO]- 306.13068 184.6
[M+CH3COO]- 320.14633 209.6
[M+Na-2H]- 282.10715 159.7
[M]+ 261.13193 165.3
[M]- 261.13303 165.3
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

patents stripe