CID 141398157

2416236-45-6

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1CC2C(=NCC(=O)N2C1)N
InChI
InChI=1S/C7H11N3O/c8-7-5-2-1-3-10(5)6(11)4-9-7/h5H,1-4H2,(H2,8,9)
InChIKey
BRXARUGTCROZDQ-UHFFFAOYSA-N
Compound name
1-amino-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 131.0
[M+Na]+ 176.07943 138.8
[M-H]- 152.08293 132.2
[M+NH4]+ 171.12403 151.8
[M+K]+ 192.05337 136.7
[M+H-H2O]+ 136.08747 124.1
[M+HCOO]- 198.08841 150.7
[M+CH3COO]- 212.10406 176.7
[M+Na-2H]- 174.06488 135.8
[M]+ 153.08966 126.2
[M]- 153.09076 126.2
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.