CID 11217265

1-(3-aminopyrrolidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC(=O)N1CCC(C1)N
InChI
InChI=1S/C6H12N2O/c1-5(9)8-3-2-6(7)4-8/h6H,2-4,7H2,1H3
InChIKey
QTFVAHXVSVHNQR-UHFFFAOYSA-N
Compound name
1-(3-aminopyrrolidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

128.09496 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 127.5
[M+Na]+ 151.084178 134.1
[M-H]- 127.087684 129.1
[M+NH4]+ 146.128783 149.5
[M+K]+ 167.058118 133.6
[M+H-H2O]+ 111.092220 121.5
[M+HCOO]- 173.093161 149.3
[M+CH3COO]- 187.108811 172.2
[M+Na-2H]- 149.069626 130.2
[M]+ 128.09441142 123.2
[M]- 128.09550858 123.2
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