CID 170915107

3',4'-dihydrospiro[azetidine-3,1'-[2]benzopyran]

Structural Information

Molecular Formula
C11H13NO
SMILES
C1COC2(CNC2)C3=CC=CC=C31
InChI
InChI=1S/C11H13NO/c1-2-4-10-9(3-1)5-6-13-11(10)7-12-8-11/h1-4,12H,5-8H2
InChIKey
GWCUNCHNXVEXRE-UHFFFAOYSA-N
Compound name
spiro[3,4-dihydroisochromene-1,3'-azetidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 131.0
[M+Na]+ 198.088938 137.1
[M-H]- 174.092444 135.1
[M+NH4]+ 193.133543 144.7
[M+K]+ 214.062878 137.9
[M+H-H2O]+ 158.096980 119.8
[M+HCOO]- 220.097921 147.0
[M+CH3COO]- 234.113571 143.1
[M+Na-2H]- 196.074386 141.1
[M]+ 175.09917142 135.2
[M]- 175.10026858 135.2
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.