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]+ 209.139696 147.7
[M+Na]+ 231.121638 154.4
[M-H]- 207.125144 148.4
[M+NH4]+ 226.166243 163.8
[M+K]+ 247.095578 152.1
[M+H-H2O]+ 191.129680 133.3
[M+HCOO]- 253.130621 166.8
[M+CH3COO]- 267.146271 201.7
[M+Na-2H]- 229.107086 149.6
[M]+ 208.13187142 140.4
[M]- 208.13296858 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.