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 140.0
[M+Na]+ 191.11549 145.7
[M-H]- 167.11899 141.2
[M+NH4]+ 186.16009 160.3
[M+K]+ 207.08943 143.7
[M+H-H2O]+ 151.12353 133.5
[M+HCOO]- 213.12447 161.0
[M+CH3COO]- 227.14012 180.5
[M+Na-2H]- 189.10094 141.2
[M]+ 168.12572 136.1
[M]- 168.12682 136.1
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.