CID 90415838

1628604-84-1

Structural Information

Molecular Formula
C8H16N2O
SMILES
CO[C@@H]1C[C@@H]2CNCCN2C1
InChI
InChI=1S/C8H16N2O/c1-11-8-4-7-5-9-2-3-10(7)6-8/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKey
ATHHKQMHRWUULC-HTQZYQBOSA-N
Compound name
(7R,8aR)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

156.12627 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 135.7
[M+Na]+ 179.11549 141.2
[M-H]- 155.11899 135.0
[M+NH4]+ 174.16009 156.0
[M+K]+ 195.08943 139.3
[M+H-H2O]+ 139.12353 128.8
[M+HCOO]- 201.12447 151.5
[M+CH3COO]- 215.14012 173.1
[M+Na-2H]- 177.10094 139.6
[M]+ 156.12572 130.0
[M]- 156.12682 130.0
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

patents stripe