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]+ 167.092736 136.2
[M+Na]+ 189.074678 144.0
[M-H]- 165.078184 137.3
[M+NH4]+ 184.119283 153.8
[M+K]+ 205.048618 142.5
[M+H-H2O]+ 149.082720 122.3
[M+HCOO]- 211.083661 156.2
[M+CH3COO]- 225.099311 193.5
[M+Na-2H]- 187.060126 139.5
[M]+ 166.08491142 127.9
[M]- 166.08600858 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.