CID 45791024

4-(aminomethyl)-1-ethylpyrrolidin-2-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
CCN1CC(CC1=O)CN
InChI
InChI=1S/C7H14N2O/c1-2-9-5-6(4-8)3-7(9)10/h6H,2-5,8H2,1H3
InChIKey
IOGQMMMEYZCTCM-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1-ethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.11061 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 130.8
[M+Na]+ 165.09983 138.2
[M-H]- 141.10333 132.5
[M+NH4]+ 160.14443 152.6
[M+K]+ 181.07377 136.8
[M+H-H2O]+ 125.10787 124.8
[M+HCOO]- 187.10881 153.3
[M+CH3COO]- 201.12446 176.3
[M+Na-2H]- 163.08528 133.6
[M]+ 142.11006 128.0
[M]- 142.11116 128.0
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

patents stripe