CID 24709801

1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CC(=O)NCC(=O)N1CCCC1C(=O)O
InChI
InChI=1S/C9H14N2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKey
ZHTPYHWQBGPPKX-UHFFFAOYSA-N
Compound name
1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.102626 147.5
[M+Na]+ 237.084568 152.2
[M-H]- 213.088074 148.0
[M+NH4]+ 232.129173 165.1
[M+K]+ 253.058508 151.7
[M+H-H2O]+ 197.092610 141.1
[M+HCOO]- 259.093551 166.5
[M+CH3COO]- 273.109201 185.3
[M+Na-2H]- 235.070016 147.1
[M]+ 214.09480142 145.0
[M]- 214.09589858 145.0
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.