CID 515633

2h-pyrrole-2-carboxamide, 5-amino-n-(4-amino-4-iminobutyl)-3,4-dihydro-

Structural Information

Molecular Formula
C9H17N5O
SMILES
C1CC(=NC1C(=O)NCCCC(=N)N)N
InChI
InChI=1S/C9H17N5O/c10-7(11)2-1-5-13-9(15)6-3-4-8(12)14-6/h6H,1-5H2,(H3,10,11)(H2,12,14)(H,13,15)
InChIKey
GEKCDDFXATYKHS-UHFFFAOYSA-N
Compound name
5-amino-N-(4-amino-4-iminobutyl)-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 147.6
[M+Na]+ 234.13253 151.2
[M-H]- 210.13603 148.6
[M+NH4]+ 229.17713 164.6
[M+K]+ 250.10647 149.4
[M+H-H2O]+ 194.14057 139.4
[M+HCOO]- 256.14151 171.4
[M+CH3COO]- 270.15716 196.1
[M+Na-2H]- 232.11798 148.9
[M]+ 211.14276 141.1
[M]- 211.14386 141.1
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

No patent data available for this compound.