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

19
Patents

197.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 146.7
[M+Na]+ 220.13081 151.0
[M-H]- 196.13431 149.5
[M+NH4]+ 215.17541 165.4
[M+K]+ 236.10475 148.5
[M+H-H2O]+ 180.13885 139.9
[M+HCOO]- 242.13979 163.4
[M+CH3COO]- 256.15544 180.3
[M+Na-2H]- 218.11626 146.9
[M]+ 197.14104 139.9
[M]- 197.14214 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