CID 313181

Chembl3040214

Structural Information

Molecular Formula
C9H17N5O
SMILES
CC(CC(=N)N)NC(=O)C1CCC(=N1)N
InChI
InChI=1S/C9H17N5O/c1-5(4-7(10)11)13-9(15)6-2-3-8(12)14-6/h5-6H,2-4H2,1H3,(H3,10,11)(H2,12,14)(H,13,15)
InChIKey
CFGXIGMWGOTYNQ-UHFFFAOYSA-N
Compound name
5-amino-N-(4-amino-4-iminobutan-2-yl)-3,4-dihydro-2H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.14331 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.15059 148.9
[M+Na]+ 234.13253 152.3
[M-H]- 210.13603 150.2
[M+NH4]+ 229.17713 165.9
[M+K]+ 250.10647 151.2
[M+H-H2O]+ 194.14057 140.9
[M+HCOO]- 256.14151 171.8
[M+CH3COO]- 270.15716 197.0
[M+Na-2H]- 232.11798 148.9
[M]+ 211.14276 141.9
[M]- 211.14386 141.9
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.