CID 114762312

1599569-26-2

Structural Information

Molecular Formula
C13H23NO
SMILES
CC(C)C1CCN(C1)C2CCC(=O)CC2
InChI
InChI=1S/C13H23NO/c1-10(2)11-7-8-14(9-11)12-3-5-13(15)6-4-12/h10-12H,3-9H2,1-2H3
InChIKey
LTKBDMRGOWNNSC-UHFFFAOYSA-N
Compound name
4-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.17796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 152.3
[M+Na]+ 232.16718 156.0
[M-H]- 208.17068 156.3
[M+NH4]+ 227.21178 171.3
[M+K]+ 248.14112 153.9
[M+H-H2O]+ 192.17522 145.2
[M+HCOO]- 254.17616 168.6
[M+CH3COO]- 268.19181 187.7
[M+Na-2H]- 230.15263 150.6
[M]+ 209.17741 145.9
[M]- 209.17851 145.9
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.