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]+ 176.08183 135.5
[M+Na]+ 198.06377 143.7
[M-H]- 174.06727 135.8
[M+NH4]+ 193.10837 149.0
[M+K]+ 214.03771 142.0
[M+H-H2O]+ 158.07181 123.9
[M+HCOO]- 220.07275 151.2
[M+CH3COO]- 234.08840 147.0
[M+Na-2H]- 196.04922 142.4
[M]+ 175.07400 139.5
[M]- 175.07510 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.