CID 3057976

74332-85-7

Structural Information

Molecular Formula
C12H23NO
SMILES
CC(C)C(=O)C(C)(C)CN1CCCC1
InChI
InChI=1S/C12H23NO/c1-10(2)11(14)12(3,4)9-13-7-5-6-8-13/h10H,5-9H2,1-4H3
InChIKey
NUXLHTUDXCZONN-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1-pyrrolidin-1-ylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.17796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.18524 149.6
[M+Na]+ 220.16718 157.4
[M+NH4]+ 215.21178 156.7
[M+K]+ 236.14112 154.8
[M-H]- 196.17068 148.9
[M+Na-2H]- 218.15263 152.0
[M]+ 197.17741 150.2
[M]- 197.17851 150.2
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.