CID 11205761

2-amino-1-(pyrrolidin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C6H12N2O
SMILES
C1CCN(C1)C(=O)CN
InChI
InChI=1S/C6H12N2O/c7-5-6(9)8-3-1-2-4-8/h1-5,7H2
InChIKey
SJNAQBNIUKINQH-UHFFFAOYSA-N
Compound name
2-amino-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

319
Patents

128.09496 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 127.8
[M+Na]+ 151.084178 133.5
[M-H]- 127.087684 129.1
[M+NH4]+ 146.128783 149.5
[M+K]+ 167.058118 133.0
[M+H-H2O]+ 111.092220 121.5
[M+HCOO]- 173.093161 149.7
[M+CH3COO]- 187.108811 171.1
[M+Na-2H]- 149.069626 131.2
[M]+ 128.09441142 123.1
[M]- 128.09550858 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe