CID 21331355

4-(hydroxymethyl)-1-isopropylpyrrolidin-2-one

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)N1CC(CC1=O)CO
InChI
InChI=1S/C8H15NO2/c1-6(2)9-4-7(5-10)3-8(9)11/h6-7,10H,3-5H2,1-2H3
InChIKey
HJRSONVKDMDDFC-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

157.11028 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.0
[M+Na]+ 180.09950 142.1
[M-H]- 156.10300 135.8
[M+NH4]+ 175.14410 156.0
[M+K]+ 196.07344 141.0
[M+H-H2O]+ 140.10754 129.6
[M+HCOO]- 202.10848 154.4
[M+CH3COO]- 216.12413 175.4
[M+Na-2H]- 178.08495 136.3
[M]+ 157.10973 133.2
[M]- 157.11083 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe