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]+ 190.122646 135.8
[M+Na]+ 212.104588 141.7
[M-H]- 188.108094 142.3
[M+NH4]+ 207.149193 150.6
[M+K]+ 228.078528 142.9
[M+H-H2O]+ 172.112630 124.9
[M+HCOO]- 234.113571 154.5
[M+CH3COO]- 248.129221 148.3
[M+Na-2H]- 210.090036 144.4
[M]+ 189.11482142 140.4
[M]- 189.11591858 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.