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

475
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

literature stripe

Patent stripe

patents stripe