CID 126970324

1638768-22-5

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1C2(CN1)C3=C(NC2=O)N=CC=C3
InChI
InChI=1S/C9H9N3O/c13-8-9(4-10-5-9)6-2-1-3-11-7(6)12-8/h1-3,10H,4-5H2,(H,11,12,13)
InChIKey
WBTYRIYDNOYEPB-UHFFFAOYSA-N
Compound name
spiro[1H-pyrrolo[2,3-b]pyridine-3,3'-azetidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 135.5
[M+Na]+ 198.063768 143.7
[M-H]- 174.067274 135.8
[M+NH4]+ 193.108373 149.0
[M+K]+ 214.037708 142.0
[M+H-H2O]+ 158.071810 123.9
[M+HCOO]- 220.072751 151.2
[M+CH3COO]- 234.088401 147.0
[M+Na-2H]- 196.049216 142.4
[M]+ 175.07400142 139.5
[M]- 175.07509858 139.5
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.