CID 169148

30344-00-4

Structural Information

Molecular Formula
C8H18N4O2
SMILES
CNC(=NC)NCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChIKey
HVPFXCBJHIIJGS-LURJTMIESA-N
Compound name
(2S)-2-amino-5-[(N,N'-dimethylcarbamimidoyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

467
References

1473
Patents

202.14297 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15025 148.5
[M+Na]+ 225.13219 151.4
[M-H]- 201.13569 148.0
[M+NH4]+ 220.17679 165.8
[M+K]+ 241.10613 151.6
[M+H-H2O]+ 185.14023 141.5
[M+HCOO]- 247.14117 172.8
[M+CH3COO]- 261.15682 195.7
[M+Na-2H]- 223.11764 150.3
[M]+ 202.14242 145.3
[M]- 202.14352 145.3
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