CID 132351123

2138255-51-1

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1CC2(C1)C3=C(C(CN2)O)NC=N3
InChI
InChI=1S/C9H13N3O/c13-6-4-12-9(2-1-3-9)8-7(6)10-5-11-8/h5-6,12-13H,1-4H2,(H,10,11)
InChIKey
KWTPJJFQQKJZFZ-UHFFFAOYSA-N
Compound name
spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,1'-cyclobutane]-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 138.9
[M+Na]+ 202.09509 145.4
[M-H]- 178.09859 137.5
[M+NH4]+ 197.13969 151.6
[M+K]+ 218.06903 143.7
[M+H-H2O]+ 162.10313 127.4
[M+HCOO]- 224.10407 151.5
[M+CH3COO]- 238.11972 149.1
[M+Na-2H]- 200.08054 144.3
[M]+ 179.10532 140.5
[M]- 179.10642 140.5
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.