CID 447555

Argininamide

Structural Information

Molecular Formula
C6H15N5O
SMILES
C(C[C@@H](C(=O)N)N)CN=C(N)N
InChI
InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/t4-/m0/s1
InChIKey
ULEBESPCVWBNIF-BYPYZUCNSA-N
Compound name
(2S)-2-amino-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

74
References

3985
Patents

173.12766 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.13494 139.1
[M+Na]+ 196.11688 142.3
[M-H]- 172.12038 138.7
[M+NH4]+ 191.16148 156.8
[M+K]+ 212.09082 142.6
[M+H-H2O]+ 156.12492 131.7
[M+HCOO]- 218.12586 164.3
[M+CH3COO]- 232.14151 195.1
[M+Na-2H]- 194.10233 139.5
[M]+ 173.12711 132.0
[M]- 173.12821 132.0
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