CID 137944801

2260936-83-0

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]+ 157.133546 136.6
[M+Na]+ 179.115488 143.6
[M-H]- 155.118994 137.1
[M+NH4]+ 174.160093 157.3
[M+K]+ 195.089428 141.5
[M+H-H2O]+ 139.123530 131.5
[M+HCOO]- 201.124471 155.6
[M+CH3COO]- 215.140121 176.4
[M+Na-2H]- 177.100936 139.2
[M]+ 156.12572142 131.7
[M]- 156.12681858 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.