CID 53256065

1286207-03-1

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1CN(C[C@H]1N)C(=O)C2CC2
InChI
InChI=1S/C8H14N2O/c9-7-3-4-10(5-7)8(11)6-1-2-6/h6-7H,1-5,9H2/t7-/m0/s1
InChIKey
QTYGXDUXIZLHGI-ZETCQYMHSA-N
Compound name
[(3S)-3-aminopyrrolidin-1-yl]-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

154.11061 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 134.0
[M+Na]+ 177.099828 141.9
[M-H]- 153.103334 139.5
[M+NH4]+ 172.144433 150.0
[M+K]+ 193.073768 139.1
[M+H-H2O]+ 137.107870 127.3
[M+HCOO]- 199.108811 155.5
[M+CH3COO]- 213.124461 180.3
[M+Na-2H]- 175.085276 136.4
[M]+ 154.11006142 131.9
[M]- 154.11115858 131.9
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

patents stripe