CID 333414

2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoic acid

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

5396
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

literature stripe

Patent stripe

patents stripe