CID 22562190

1376340-66-7

Structural Information

Molecular Formula
C6H11N3O
SMILES
C1CN2C(CN1)CNC2=O
InChI
InChI=1S/C6H11N3O/c10-6-8-4-5-3-7-1-2-9(5)6/h5,7H,1-4H2,(H,8,10)
InChIKey
RTGLANPQFMENLF-UHFFFAOYSA-N
Compound name
2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

141.09021 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 131.3
[M+Na]+ 164.07943 137.6
[M-H]- 140.08293 128.1
[M+NH4]+ 159.12403 149.9
[M+K]+ 180.05337 134.6
[M+H-H2O]+ 124.08747 124.1
[M+HCOO]- 186.08841 145.1
[M+CH3COO]- 200.10406 142.1
[M+Na-2H]- 162.06488 135.5
[M]+ 141.08966 122.9
[M]- 141.09076 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe