CID 333414

Nsc334212

Structural Information

Molecular Formula
C8H17N5O3
SMILES
C(CC(C(=O)O)NC(=O)CN)CN=C(N)N
InChI
InChI=1S/C8H17N5O3/c9-4-6(14)13-5(7(15)16)2-1-3-12-8(10)11/h5H,1-4,9H2,(H,13,14)(H,15,16)(H4,10,11,12)
InChIKey
JLXVRFDTDUGQEE-UHFFFAOYSA-N
Compound name
2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

5574
Patents

231.13313 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14041 152.3
[M+Na]+ 254.12235 154.3
[M-H]- 230.12585 150.8
[M+NH4]+ 249.16695 167.1
[M+K]+ 270.09629 154.7
[M+H-H2O]+ 214.13039 144.5
[M+HCOO]- 276.13133 175.8
[M+CH3COO]- 290.14698 203.4
[M+Na-2H]- 252.10780 151.3
[M]+ 231.13258 146.5
[M]- 231.13368 146.5
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

No patent data available for this compound.