CID 12508987

2,2,5,5-tetramethylpyrrolidin-3-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1(CC(=O)C(N1)(C)C)C
InChI
InChI=1S/C8H15NO/c1-7(2)5-6(10)8(3,4)9-7/h9H,5H2,1-4H3
InChIKey
NQDVQRKVEZYOBD-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

141.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 127.2
[M+Na]+ 164.104588 136.6
[M-H]- 140.108094 128.9
[M+NH4]+ 159.149193 153.1
[M+K]+ 180.078528 134.9
[M+H-H2O]+ 124.112630 124.0
[M+HCOO]- 186.113571 147.7
[M+CH3COO]- 200.129221 171.9
[M+Na-2H]- 162.090036 132.6
[M]+ 141.11482142 125.5
[M]- 141.11591858 125.5
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

patents stripe