CID 515624

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

Structural Information

Molecular Formula
C7H10N4O
SMILES
C1CC(=NC1C(=O)NCC#N)N
InChI
InChI=1S/C7H10N4O/c8-3-4-10-7(12)5-1-2-6(9)11-5/h5H,1-2,4H2,(H2,9,11)(H,10,12)
InChIKey
SOVPRFHDGLXXCI-UHFFFAOYSA-N
Compound name
5-amino-N-(cyanomethyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

166.08546 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09274 136.2
[M+Na]+ 189.07468 144.0
[M-H]- 165.07818 137.3
[M+NH4]+ 184.11928 153.8
[M+K]+ 205.04862 142.5
[M+H-H2O]+ 149.08272 122.3
[M+HCOO]- 211.08366 156.2
[M+CH3COO]- 225.09931 193.5
[M+Na-2H]- 187.06013 139.5
[M]+ 166.08491 127.9
[M]- 166.08601 127.9
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.