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]+ 227.175396 156.7
[M+Na]+ 249.157338 160.3
[M-H]- 225.160844 158.2
[M+NH4]+ 244.201943 174.7
[M+K]+ 265.131278 159.9
[M+H-H2O]+ 209.165380 150.0
[M+HCOO]- 271.166321 174.6
[M+CH3COO]- 285.181971 195.0
[M+Na-2H]- 247.142786 153.8
[M]+ 226.16757142 154.5
[M]- 226.16866858 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.