CID 14354813

Asparagylproline

Structural Information

Molecular Formula
C9H15N3O4
SMILES
C1CC(N(C1)C(=O)C(CC(=O)N)N)C(=O)O
InChI
InChI=1S/C9H15N3O4/c10-5(4-7(11)13)8(14)12-3-1-2-6(12)9(15)16/h5-6H,1-4,10H2,(H2,11,13)(H,15,16)
InChIKey
GADKFYNESXNRLC-UHFFFAOYSA-N
Compound name
1-(2,4-diamino-4-oxobutanoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

229.10626 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11354 151.5
[M+Na]+ 252.09548 154.9
[M-H]- 228.09898 150.9
[M+NH4]+ 247.14008 167.3
[M+K]+ 268.06942 154.5
[M+H-H2O]+ 212.10352 144.6
[M+HCOO]- 274.10446 169.2
[M+CH3COO]- 288.12011 191.2
[M+Na-2H]- 250.08093 148.2
[M]+ 229.10571 145.5
[M]- 229.10681 145.5
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

patents stripe