CID 75476846

4-(hydroxymethyl)-4-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC1(CC(=O)NC1)CO
InChI
InChI=1S/C6H11NO2/c1-6(4-8)2-5(9)7-3-6/h8H,2-4H2,1H3,(H,7,9)
InChIKey
QGIFFTTTXRPFEN-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-4-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

129.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 126.0
[M+Na]+ 152.068198 133.8
[M-H]- 128.071704 125.7
[M+NH4]+ 147.112803 149.2
[M+K]+ 168.042138 132.0
[M+H-H2O]+ 112.076240 121.8
[M+HCOO]- 174.077181 145.7
[M+CH3COO]- 188.092831 164.3
[M+Na-2H]- 150.053646 131.0
[M]+ 129.07843142 122.2
[M]- 129.07952858 122.2
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