CID 3024318

94333-40-1

Structural Information

Molecular Formula
C15H29NO
SMILES
CC(C)CC(C)(CC(C)C)C(=O)N1CCCC1
InChI
InChI=1S/C15H29NO/c1-12(2)10-15(5,11-13(3)4)14(17)16-8-6-7-9-16/h12-13H,6-11H2,1-5H3
InChIKey
LMXPSAJVSIPGBP-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2-(2-methylpropyl)-1-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.22491 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.232186 164.1
[M+Na]+ 262.214128 166.9
[M-H]- 238.217634 164.9
[M+NH4]+ 257.258733 182.0
[M+K]+ 278.188068 165.9
[M+H-H2O]+ 222.222170 157.8
[M+HCOO]- 284.223111 179.0
[M+CH3COO]- 298.238761 196.2
[M+Na-2H]- 260.199576 162.0
[M]+ 239.22436142 162.8
[M]- 239.22545858 162.8
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.