CID 7010590

H-ala-ala-gly-oh

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39455
Patents

217.10626 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11354 150.0
[M+Na]+ 240.09548 153.0
[M-H]- 216.09898 148.1
[M+NH4]+ 235.14008 165.9
[M+K]+ 256.06942 153.8
[M+H-H2O]+ 200.10352 143.5
[M+HCOO]- 262.10446 170.5
[M+CH3COO]- 276.12011 194.2
[M+Na-2H]- 238.08093 148.7
[M]+ 217.10571 146.7
[M]- 217.10681 146.7
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