CID 55285334

1263485-59-1

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC(C)[C@H]1[C@@H](CC(=O)N1)N
InChI
InChI=1S/C7H14N2O/c1-4(2)7-5(8)3-6(10)9-7/h4-5,7H,3,8H2,1-2H3,(H,9,10)/t5-,7+/m1/s1
InChIKey
AEPSAOLIERMLCO-VDTYLAMSSA-N
Compound name
(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 131.8
[M+Na]+ 165.09983 139.8
[M+NH4]+ 160.14443 139.0
[M+K]+ 181.07377 137.7
[M-H]- 141.10333 131.7
[M+Na-2H]- 163.08528 134.0
[M]+ 142.11006 132.4
[M]- 142.11116 132.4
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.