CID 515625

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

Structural Information

Molecular Formula
C8H12N4O
SMILES
C1CC(=NC1C(=O)NCCC#N)N
InChI
InChI=1S/C8H12N4O/c9-4-1-5-11-8(13)6-2-3-7(10)12-6/h6H,1-3,5H2,(H2,10,12)(H,11,13)
InChIKey
QAWYBKMLUMJCGC-UHFFFAOYSA-N
Compound name
5-amino-N-(2-cyanoethyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

180.1011 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 140.0
[M+Na]+ 203.09032 147.5
[M-H]- 179.09382 141.0
[M+NH4]+ 198.13492 157.2
[M+K]+ 219.06426 145.7
[M+H-H2O]+ 163.09836 126.0
[M+HCOO]- 225.09930 159.7
[M+CH3COO]- 239.11495 196.3
[M+Na-2H]- 201.07577 142.9
[M]+ 180.10055 132.1
[M]- 180.10165 132.1
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.