CID 125424977

3,4-dihydrospiro[1-benzopyran-2,1'-cyclobutane]-6-amine

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC2(C1)CCC3=C(O2)C=CC(=C3)N
InChI
InChI=1S/C12H15NO/c13-10-2-3-11-9(8-10)4-7-12(14-11)5-1-6-12/h2-3,8H,1,4-7,13H2
InChIKey
BAYNEJNAFLQDSR-UHFFFAOYSA-N
Compound name
spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 135.8
[M+Na]+ 212.10459 141.7
[M-H]- 188.10809 142.3
[M+NH4]+ 207.14919 150.6
[M+K]+ 228.07853 142.9
[M+H-H2O]+ 172.11263 124.9
[M+HCOO]- 234.11357 154.5
[M+CH3COO]- 248.12922 148.3
[M+Na-2H]- 210.09004 144.4
[M]+ 189.11482 140.4
[M]- 189.11592 140.4
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.