CID 155858435

3-amino-3-propylpyrrolidin-2-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
CCCC1(CCNC1=O)N
InChI
InChI=1S/C7H14N2O/c1-2-3-7(8)4-5-9-6(7)10/h2-5,8H2,1H3,(H,9,10)
InChIKey
OBRKGUGZVABIJI-UHFFFAOYSA-N
Compound name
3-amino-3-propylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.11061 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 130.6
[M+Na]+ 165.099828 137.5
[M-H]- 141.103334 130.8
[M+NH4]+ 160.144433 153.3
[M+K]+ 181.073768 135.4
[M+H-H2O]+ 125.107870 125.5
[M+HCOO]- 187.108811 151.6
[M+CH3COO]- 201.124461 172.1
[M+Na-2H]- 163.085276 134.8
[M]+ 142.11006142 125.8
[M]- 142.11115858 125.8
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.