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]+ 181.108376 140.0
[M+Na]+ 203.090318 147.5
[M-H]- 179.093824 141.0
[M+NH4]+ 198.134923 157.2
[M+K]+ 219.064258 145.7
[M+H-H2O]+ 163.098360 126.0
[M+HCOO]- 225.099301 159.7
[M+CH3COO]- 239.114951 196.3
[M+Na-2H]- 201.075766 142.9
[M]+ 180.10055142 132.1
[M]- 180.10164858 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

literature stripe

Patent stripe

No patent data available for this compound.