CID 84072651

3-ethyl-3-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCC1(CCNC1=O)CO
InChI
InChI=1S/C7H13NO2/c1-2-7(5-9)3-4-8-6(7)10/h9H,2-5H2,1H3,(H,8,10)
InChIKey
VFUZJUPYKWXNTN-UHFFFAOYSA-N
Compound name
3-ethyl-3-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.5
[M+Na]+ 166.08386 137.8
[M-H]- 142.08736 130.0
[M+NH4]+ 161.12846 153.1
[M+K]+ 182.05780 135.8
[M+H-H2O]+ 126.09190 126.0
[M+HCOO]- 188.09284 149.8
[M+CH3COO]- 202.10849 167.3
[M+Na-2H]- 164.06931 135.0
[M]+ 143.09409 127.1
[M]- 143.09519 127.1
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

No patent data available for this compound.