CID 9813211

16874-70-7

Structural Information

Molecular Formula
C8H15N3O4
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C8H15N3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1
InChIKey
FAQVCWVVIYYWRR-WHFBIAKZSA-N
Compound name
(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2130
Patents

217.10626 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11354 150.0
[M+Na]+ 240.09548 152.9
[M-H]- 216.09898 147.6
[M+NH4]+ 235.14008 165.5
[M+K]+ 256.06942 153.4
[M+H-H2O]+ 200.10352 143.5
[M+HCOO]- 262.10446 169.8
[M+CH3COO]- 276.12011 194.4
[M+Na-2H]- 238.08093 147.6
[M]+ 217.10571 145.7
[M]- 217.10681 145.7
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