CID 60662896

587022-78-4

Structural Information

Molecular Formula
C8H13NO5
SMILES
COC(=O)CNC(=O)CCCC(=O)O
InChI
InChI=1S/C8H13NO5/c1-14-8(13)5-9-6(10)3-2-4-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKey
ARHDVFIZXUIWIH-UHFFFAOYSA-N
Compound name
5-[(2-methoxy-2-oxoethyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07938 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08666 143.5
[M+Na]+ 226.06860 148.7
[M-H]- 202.07210 142.1
[M+NH4]+ 221.11320 161.2
[M+K]+ 242.04254 149.0
[M+H-H2O]+ 186.07664 137.9
[M+HCOO]- 248.07758 165.0
[M+CH3COO]- 262.09323 184.2
[M+Na-2H]- 224.05405 145.5
[M]+ 203.07883 145.8
[M]- 203.07993 145.8
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.