CID 515634

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

Structural Information

Molecular Formula
C10H18N4O
SMILES
C1CC(=NC1C(=O)NCCCCC=N)N
InChI
InChI=1S/C10H18N4O/c11-6-2-1-3-7-13-10(15)8-4-5-9(12)14-8/h6,8,11H,1-5,7H2,(H2,12,14)(H,13,15)
InChIKey
AOFSCCBMRUKPIT-UHFFFAOYSA-N
Compound name
5-amino-N-(5-iminopentyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.14806 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15534 148.5
[M+Na]+ 233.13728 152.9
[M-H]- 209.14078 149.8
[M+NH4]+ 228.18188 166.4
[M+K]+ 249.11122 150.5
[M+H-H2O]+ 193.14532 140.6
[M+HCOO]- 255.14626 172.7
[M+CH3COO]- 269.16191 193.4
[M+Na-2H]- 231.12273 151.1
[M]+ 210.14751 144.8
[M]- 210.14861 144.8
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.