CID 95933748

2225126-79-2

Structural Information

Molecular Formula
C13H16FNO
SMILES
C1CCC2(C1)C[C@H](C3=C(O2)C=CC(=C3)F)N
InChI
InChI=1S/C13H16FNO/c14-9-3-4-12-10(7-9)11(15)8-13(16-12)5-1-2-6-13/h3-4,7,11H,1-2,5-6,8,15H2/t11-/m1/s1
InChIKey
AUNWIYCRCJHCCF-LLVKDONJSA-N
Compound name
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1216 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12888 147.5
[M+Na]+ 244.11082 154.8
[M-H]- 220.11432 152.7
[M+NH4]+ 239.15542 169.2
[M+K]+ 260.08476 151.6
[M+H-H2O]+ 204.11886 140.7
[M+HCOO]- 266.11980 165.7
[M+CH3COO]- 280.13545 159.8
[M+Na-2H]- 242.09627 152.3
[M]+ 221.12105 141.2
[M]- 221.12215 141.2
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.