CID 84072646

3-(hydroxymethyl)-3-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC1(CCNC1=O)CO
InChI
InChI=1S/C6H11NO2/c1-6(4-8)2-3-7-5(6)9/h8H,2-4H2,1H3,(H,7,9)
InChIKey
OBVUYDLKWAXYGV-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

129.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 126.0
[M+Na]+ 152.06820 133.8
[M-H]- 128.07170 125.7
[M+NH4]+ 147.11280 149.2
[M+K]+ 168.04214 132.0
[M+H-H2O]+ 112.07624 121.8
[M+HCOO]- 174.07718 145.7
[M+CH3COO]- 188.09283 164.3
[M+Na-2H]- 150.05365 131.0
[M]+ 129.07843 122.2
[M]- 129.07953 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