CID 515626

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

Structural Information

Molecular Formula
C9H14N4O
SMILES
C1CC(=NC1C(=O)NCCCC#N)N
InChI
InChI=1S/C9H14N4O/c10-5-1-2-6-12-9(14)7-3-4-8(11)13-7/h7H,1-4,6H2,(H2,11,13)(H,12,14)
InChIKey
MBWGFSHKHWVASY-UHFFFAOYSA-N
Compound name
5-amino-N-(3-cyanopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.11676 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 143.9
[M+Na]+ 217.10598 150.9
[M-H]- 193.10948 144.7
[M+NH4]+ 212.15058 160.5
[M+K]+ 233.07992 148.9
[M+H-H2O]+ 177.11402 129.7
[M+HCOO]- 239.11496 163.3
[M+CH3COO]- 253.13061 199.0
[M+Na-2H]- 215.09143 146.3
[M]+ 194.11621 136.3
[M]- 194.11731 136.3
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.