CID 427966

5-amino-n-(2-cyano-1-methyl-ethyl)-3,4-dihydro-2h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C9H14N4O
SMILES
CC(CC#N)NC(=O)C1CCC(=N1)N
InChI
InChI=1S/C9H14N4O/c1-6(4-5-10)12-9(14)7-2-3-8(11)13-7/h6-7H,2-4H2,1H3,(H2,11,13)(H,12,14)
InChIKey
ADDCKPOXZPAILS-UHFFFAOYSA-N
Compound name
5-amino-N-(1-cyanopropan-2-yl)-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

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 145.8
[M+Na]+ 217.10598 152.6
[M-H]- 193.10948 146.7
[M+NH4]+ 212.15058 162.4
[M+K]+ 233.07992 151.1
[M+H-H2O]+ 177.11402 131.7
[M+HCOO]- 239.11496 164.3
[M+CH3COO]- 253.13061 199.8
[M+Na-2H]- 215.09143 146.9
[M]+ 194.11621 137.6
[M]- 194.11731 137.6
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.