CID 24275516

1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C11H19NO2
SMILES
C1CCC(CC1)N2CC(CC2=O)CO
InChI
InChI=1S/C11H19NO2/c13-8-9-6-11(14)12(7-9)10-4-2-1-3-5-10/h9-10,13H,1-8H2
InChIKey
QQBIODKHASIBEM-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

197.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 146.7
[M+Na]+ 220.130808 151.0
[M-H]- 196.134314 149.5
[M+NH4]+ 215.175413 165.4
[M+K]+ 236.104748 148.5
[M+H-H2O]+ 180.138850 139.9
[M+HCOO]- 242.139791 163.4
[M+CH3COO]- 256.155441 180.3
[M+Na-2H]- 218.116256 146.9
[M]+ 197.14104142 139.9
[M]- 197.14213858 139.9
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

patents stripe