CID 165776441

2751603-22-0

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CN2C[C@H](C[C@H]2C(=O)N1)O
InChI
InChI=1S/C7H12N2O2/c10-5-3-6-7(11)8-1-2-9(6)4-5/h5-6,10H,1-4H2,(H,8,11)/t5-,6-/m0/s1
InChIKey
JQCSFFVNZWKQOP-WDSKDSINSA-N
Compound name
(7S,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.08987 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 133.6
[M+Na]+ 179.07909 140.4
[M-H]- 155.08259 132.2
[M+NH4]+ 174.12369 153.3
[M+K]+ 195.05303 137.6
[M+H-H2O]+ 139.08713 127.5
[M+HCOO]- 201.08807 148.6
[M+CH3COO]- 215.10372 169.9
[M+Na-2H]- 177.06454 137.0
[M]+ 156.08932 126.8
[M]- 156.09042 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.