CID 24275517

4-(hydroxymethyl)-1-(2-methoxyethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H15NO3
SMILES
COCCN1CC(CC1=O)CO
InChI
InChI=1S/C8H15NO3/c1-12-3-2-9-5-7(6-10)4-8(9)11/h7,10H,2-6H2,1H3
InChIKey
KYIDEFFZCCGIET-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

173.1052 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 137.3
[M+Na]+ 196.094418 144.6
[M-H]- 172.097924 138.0
[M+NH4]+ 191.139023 157.6
[M+K]+ 212.068358 143.5
[M+H-H2O]+ 156.102460 131.6
[M+HCOO]- 218.103401 158.0
[M+CH3COO]- 232.119051 176.6
[M+Na-2H]- 194.079866 139.9
[M]+ 173.10465142 137.7
[M]- 173.10574858 137.7
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