CID 59591617

4-[(dimethylamino)methyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
CN(C)CC1CC(=O)NC1
InChI
InChI=1S/C7H14N2O/c1-9(2)5-6-3-7(10)8-4-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKey
BQPXIEDTEGJGFX-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

142.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 131.4
[M+Na]+ 165.099828 137.5
[M-H]- 141.103334 133.3
[M+NH4]+ 160.144433 153.0
[M+K]+ 181.073768 137.0
[M+H-H2O]+ 125.107870 125.1
[M+HCOO]- 187.108811 153.5
[M+CH3COO]- 201.124461 176.6
[M+Na-2H]- 163.085276 134.7
[M]+ 142.11006142 128.5
[M]- 142.11115858 128.5
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