CID 61827644

3-amino-2,2-dimethyl-1-(pyrrolidin-1-yl)propan-1-one

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC(C)(CN)C(=O)N1CCCC1
InChI
InChI=1S/C9H18N2O/c1-9(2,7-10)8(12)11-5-3-4-6-11/h3-7,10H2,1-2H3
InChIKey
XDKAYYVXGFABMZ-UHFFFAOYSA-N
Compound name
3-amino-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 141.4
[M+Na]+ 193.131118 146.2
[M-H]- 169.134624 142.4
[M+NH4]+ 188.175723 161.5
[M+K]+ 209.105058 145.3
[M+H-H2O]+ 153.139160 135.3
[M+HCOO]- 215.140101 160.6
[M+CH3COO]- 229.155751 180.5
[M+Na-2H]- 191.116566 144.0
[M]+ 170.14135142 137.3
[M]- 170.14244858 137.3
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.