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]+ 157.097146 133.6
[M+Na]+ 179.079088 140.4
[M-H]- 155.082594 132.2
[M+NH4]+ 174.123693 153.3
[M+K]+ 195.053028 137.6
[M+H-H2O]+ 139.087130 127.5
[M+HCOO]- 201.088071 148.6
[M+CH3COO]- 215.103721 169.9
[M+Na-2H]- 177.064536 137.0
[M]+ 156.08932142 126.8
[M]- 156.09041858 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.