CID 49770708

N-(1-acetyl-2-methyl-propyl)-1-methyl-pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)C(C(=O)C)NC(=O)C1CCCN1C
InChI
InChI=1S/C12H22N2O2/c1-8(2)11(9(3)15)13-12(16)10-6-5-7-14(10)4/h8,10-11H,5-7H2,1-4H3,(H,13,16)
InChIKey
LQSPMCPGQOYCBH-UHFFFAOYSA-N
Compound name
1-methyl-N-(2-methyl-4-oxopentan-3-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 156.7
[M+Na]+ 249.15734 160.3
[M-H]- 225.16084 158.2
[M+NH4]+ 244.20194 174.7
[M+K]+ 265.13128 159.9
[M+H-H2O]+ 209.16538 150.0
[M+HCOO]- 271.16632 174.6
[M+CH3COO]- 285.18197 195.0
[M+Na-2H]- 247.14279 153.8
[M]+ 226.16757 154.5
[M]- 226.16867 154.5
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

No patent data available for this compound.