CID 45791025

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

Structural Information

Molecular Formula
C8H16N2O2
SMILES
COCCN1CC(CC1=O)CN
InChI
InChI=1S/C8H16N2O2/c1-12-3-2-10-6-7(5-9)4-8(10)11/h7H,2-6,9H2,1H3
InChIKey
BZVCHJSYUWBMBO-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.12119 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 138.0
[M+Na]+ 195.110408 144.8
[M-H]- 171.113914 139.5
[M+NH4]+ 190.155013 158.5
[M+K]+ 211.084348 143.7
[M+H-H2O]+ 155.118450 131.7
[M+HCOO]- 217.119391 160.4
[M+CH3COO]- 231.135041 181.4
[M+Na-2H]- 193.095856 140.4
[M]+ 172.12064142 137.0
[M]- 172.12173858 137.0
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.