CID 139596261

Ns00000803

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1CC(NC1)C(=CC=CN)C=O
InChI
InChI=1S/C9H14N2O/c10-5-1-3-8(7-12)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6,10H2
InChIKey
NMSRRWSRVABYEB-UHFFFAOYSA-N
Compound name
5-amino-2-pyrrolidin-2-ylpenta-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 140.1
[M+Na]+ 189.099828 144.8
[M-H]- 165.103334 139.5
[M+NH4]+ 184.144433 159.4
[M+K]+ 205.073768 141.3
[M+H-H2O]+ 149.107870 133.6
[M+HCOO]- 211.108811 159.8
[M+CH3COO]- 225.124461 175.2
[M+Na-2H]- 187.085276 141.4
[M]+ 166.11006142 133.1
[M]- 166.11115858 133.1
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.