CID 3086673

Pegorgotein

Structural Information

Molecular Formula
C7H13NO4
SMILES
COCCOC(=O)CCC(=O)N
InChI
InChI=1S/C7H13NO4/c1-11-4-5-12-7(10)3-2-6(8)9/h2-5H2,1H3,(H2,8,9)
InChIKey
VJDVWBDSMDTODO-UHFFFAOYSA-N
Compound name
2-methoxyethyl 4-amino-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

151
References

481
Patents

175.08446 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 137.4
[M+Na]+ 198.07368 143.3
[M-H]- 174.07718 137.0
[M+NH4]+ 193.11828 156.8
[M+K]+ 214.04762 144.0
[M+H-H2O]+ 158.08172 131.8
[M+HCOO]- 220.08266 160.6
[M+CH3COO]- 234.09831 181.6
[M+Na-2H]- 196.05913 140.5
[M]+ 175.08391 140.2
[M]- 175.08501 140.2
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.