CID 137944801

Rac-(3r,5r)-3-amino-5-tert-butylpyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(C)(C)[C@@H]1C[C@@H](C(=O)N1)N
InChI
InChI=1S/C8H16N2O/c1-8(2,3)6-4-5(9)7(11)10-6/h5-6H,4,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
InChIKey
QEDXXKFAGWMCMF-WDSKDSINSA-N
Compound name
(3S,5S)-3-amino-5-tert-butylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 136.6
[M+Na]+ 179.11549 143.6
[M-H]- 155.11899 137.1
[M+NH4]+ 174.16009 157.3
[M+K]+ 195.08943 141.5
[M+H-H2O]+ 139.12353 131.5
[M+HCOO]- 201.12447 155.6
[M+CH3COO]- 215.14012 176.4
[M+Na-2H]- 177.10094 139.2
[M]+ 156.12572 131.7
[M]- 156.12682 131.7
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.