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]+ 173.12847 138.0
[M+Na]+ 195.11041 144.8
[M-H]- 171.11391 139.5
[M+NH4]+ 190.15501 158.5
[M+K]+ 211.08435 143.7
[M+H-H2O]+ 155.11845 131.7
[M+HCOO]- 217.11939 160.4
[M+CH3COO]- 231.13504 181.4
[M+Na-2H]- 193.09586 140.4
[M]+ 172.12064 137.0
[M]- 172.12174 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.