CID 515627

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

Structural Information

Molecular Formula
C10H16N4O
SMILES
C1CC(=NC1C(=O)NCCCCC#N)N
InChI
InChI=1S/C10H16N4O/c11-6-2-1-3-7-13-10(15)8-4-5-9(12)14-8/h8H,1-5,7H2,(H2,12,14)(H,13,15)
InChIKey
RSEAHRPREHDRPW-UHFFFAOYSA-N
Compound name
5-amino-N-(4-cyanobutyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.13242 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 147.7
[M+Na]+ 231.12164 154.4
[M-H]- 207.12514 148.4
[M+NH4]+ 226.16624 163.8
[M+K]+ 247.09558 152.1
[M+H-H2O]+ 191.12968 133.3
[M+HCOO]- 253.13062 166.8
[M+CH3COO]- 267.14627 201.7
[M+Na-2H]- 229.10709 149.6
[M]+ 208.13187 140.4
[M]- 208.13297 140.4
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

No patent data available for this compound.