CID 24709801

99783-45-6

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]+ 215.10263 147.5
[M+Na]+ 237.08457 152.2
[M-H]- 213.08807 148.0
[M+NH4]+ 232.12917 165.1
[M+K]+ 253.05851 151.7
[M+H-H2O]+ 197.09261 141.1
[M+HCOO]- 259.09355 166.5
[M+CH3COO]- 273.10920 185.3
[M+Na-2H]- 235.07002 147.1
[M]+ 214.09480 145.0
[M]- 214.09590 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.