CID 49867141

Iminoarginine

Structural Information

Molecular Formula
C6H12N4O2
SMILES
C(CC(=N)C(=O)O)CN=C(N)N
InChI
InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)
InChIKey
YWGYOCPWFDUKSA-UHFFFAOYSA-N
Compound name
5-(diaminomethylideneamino)-2-iminopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

172.09602 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.103296 137.8
[M+Na]+ 195.085238 141.7
[M-H]- 171.088744 137.1
[M+NH4]+ 190.129843 155.8
[M+K]+ 211.059178 141.5
[M+H-H2O]+ 155.093280 131.2
[M+HCOO]- 217.094221 162.3
[M+CH3COO]- 231.109871 189.6
[M+Na-2H]- 193.070686 139.6
[M]+ 172.09547142 132.4
[M]- 172.09656858 132.4
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