CID 122164357

1989672-00-5

Structural Information

Molecular Formula
C9H17N3O
SMILES
C1CCN2C(C1)CN(C2=O)CCN
InChI
InChI=1S/C9H17N3O/c10-4-6-11-7-8-3-1-2-5-12(8)9(11)13/h8H,1-7,10H2
InChIKey
NPIWYUMJLMKWEN-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.13716 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.144436 142.0
[M+Na]+ 206.126378 147.8
[M-H]- 182.129884 142.3
[M+NH4]+ 201.170983 161.4
[M+K]+ 222.100318 145.5
[M+H-H2O]+ 166.134420 134.6
[M+HCOO]- 228.135361 159.5
[M+CH3COO]- 242.151011 183.2
[M+Na-2H]- 204.111826 144.6
[M]+ 183.13661142 136.4
[M]- 183.13770858 136.4
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.