CID 55285334

2753022-92-1

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 132.2
[M+Na]+ 165.09983 138.9
[M-H]- 141.10333 132.7
[M+NH4]+ 160.14443 153.2
[M+K]+ 181.07377 137.1
[M+H-H2O]+ 125.10787 126.6
[M+HCOO]- 187.10881 152.2
[M+CH3COO]- 201.12446 174.6
[M+Na-2H]- 163.08528 133.3
[M]+ 142.11006 126.8
[M]- 142.11116 126.8
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.