CID 81469778

1-[(3r)-3-aminopyrrolidin-1-yl]pent-4-en-1-one

Structural Information

Molecular Formula
C9H16N2O
SMILES
C=CCCC(=O)N1CC[C@H](C1)N
InChI
InChI=1S/C9H16N2O/c1-2-3-4-9(12)11-6-5-8(10)7-11/h2,8H,1,3-7,10H2/t8-/m1/s1
InChIKey
RCMZLTISWWAHQD-MRVPVSSYSA-N
Compound name
1-[(3R)-3-aminopyrrolidin-1-yl]pent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 140.2
[M+Na]+ 191.11549 148.1
[M+NH4]+ 186.16009 147.2
[M+K]+ 207.08943 144.8
[M-H]- 167.11899 140.3
[M+Na-2H]- 189.10094 142.6
[M]+ 168.12572 140.8
[M]- 168.12682 140.8
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.