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

36
Patents

189.11134 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.11862 143.2
[M+Na]+ 212.10056 146.7
[M-H]- 188.10406 140.8
[M+NH4]+ 207.14516 160.1
[M+K]+ 228.07450 146.4
[M+H-H2O]+ 172.10860 136.8
[M+HCOO]- 234.10954 164.9
[M+CH3COO]- 248.12519 187.9
[M+Na-2H]- 210.08601 143.7
[M]+ 189.11079 139.1
[M]- 189.11189 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