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]+ 171.14918 141.4
[M+Na]+ 193.13112 146.2
[M-H]- 169.13462 142.4
[M+NH4]+ 188.17572 161.5
[M+K]+ 209.10506 145.3
[M+H-H2O]+ 153.13916 135.3
[M+HCOO]- 215.14010 160.6
[M+CH3COO]- 229.15575 180.5
[M+Na-2H]- 191.11657 144.0
[M]+ 170.14135 137.3
[M]- 170.14245 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.