CID 2759451

Dimethyl-2-isocyanoglutarate

Structural Information

Molecular Formula
C8H11NO4
SMILES
COC(=O)CCC(C(=O)OC)[N+]#[C-]
InChI
InChI=1S/C8H11NO4/c1-9-6(8(11)13-3)4-5-7(10)12-2/h6H,4-5H2,2-3H3
InChIKey
GMIVCMAUMKZQEO-UHFFFAOYSA-N
Compound name
dimethyl 2-isocyanopentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0688 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 138.0
[M+Na]+ 208.05802 147.5
[M+NH4]+ 203.10262 140.9
[M+K]+ 224.03196 142.9
[M-H]- 184.06152 129.6
[M+Na-2H]- 206.04347 137.5
[M]+ 185.06825 135.8
[M]- 185.06935 135.8
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.