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

349
Patents

128.09496 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 127.5
[M+Na]+ 151.08418 134.1
[M-H]- 127.08768 129.1
[M+NH4]+ 146.12878 149.5
[M+K]+ 167.05812 133.6
[M+H-H2O]+ 111.09222 121.5
[M+HCOO]- 173.09316 149.3
[M+CH3COO]- 187.10881 172.2
[M+Na-2H]- 149.06963 130.2
[M]+ 128.09441 123.2
[M]- 128.09551 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