CID 46936619

(2s)-4-(beta-alanylamino)-2-aminobutanoic acid

Structural Information

Molecular Formula
C7H15N3O3
SMILES
C(CNC(=O)CCN)[C@@H](C(=O)O)N
InChI
InChI=1S/C7H15N3O3/c8-3-1-6(11)10-4-2-5(9)7(12)13/h5H,1-4,8-9H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey
ZTTQHTAQUGLWNQ-YFKPBYRVSA-N
Compound name
(2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

189.11134 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.118616 143.2
[M+Na]+ 212.100558 146.7
[M-H]- 188.104064 140.8
[M+NH4]+ 207.145163 160.1
[M+K]+ 228.074498 146.4
[M+H-H2O]+ 172.108600 136.8
[M+HCOO]- 234.109541 164.9
[M+CH3COO]- 248.125191 187.9
[M+Na-2H]- 210.086006 143.7
[M]+ 189.11079142 139.1
[M]- 189.11188858 139.1
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