CID 437601

Dimethyl aminomalonate hcl

Structural Information

Molecular Formula
C5H9NO4
SMILES
COC(=O)C(C(=O)OC)N
InChI
InChI=1S/C5H9NO4/c1-9-4(7)3(6)5(8)10-2/h3H,6H2,1-2H3
InChIKey
MHDFJESNGMDHQD-UHFFFAOYSA-N
Compound name
dimethyl 2-aminopropanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

343
Patents

147.05316 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.060436 128.5
[M+Na]+ 170.042378 135.2
[M-H]- 146.045884 128.7
[M+NH4]+ 165.086983 149.2
[M+K]+ 186.016318 137.0
[M+H-H2O]+ 130.050420 123.5
[M+HCOO]- 192.051361 151.5
[M+CH3COO]- 206.067011 175.8
[M+Na-2H]- 168.027826 131.5
[M]+ 147.05261142 129.9
[M]- 147.05370858 129.9
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