CID 139596378

Ns00000806

Structural Information

Molecular Formula
C10H16N2O
SMILES
CN1CCCC1C(=CC=CN)C=O
InChI
InChI=1S/C10H16N2O/c1-12-7-3-5-10(12)9(8-13)4-2-6-11/h2,4,6,8,10H,3,5,7,11H2,1H3
InChIKey
ODUKHOFBOXMNAB-UHFFFAOYSA-N
Compound name
5-amino-2-(1-methylpyrrolidin-2-yl)penta-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.133546 143.6
[M+Na]+ 203.115488 149.2
[M-H]- 179.118994 144.6
[M+NH4]+ 198.160093 163.4
[M+K]+ 219.089428 146.4
[M+H-H2O]+ 163.123530 137.0
[M+HCOO]- 225.124471 164.5
[M+CH3COO]- 239.140121 181.9
[M+Na-2H]- 201.100936 144.2
[M]+ 180.12572142 139.3
[M]- 180.12681858 139.3
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.