CID 64814696

Rac-[(3r,4r)-4-amino-3,4-dihydro-2h-1-benzopyran-3-yl]methanol, cis

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1C(C(C2=CC=CC=C2O1)N)CO
InChI
InChI=1S/C10H13NO2/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-4,7,10,12H,5-6,11H2
InChIKey
SHVSFODEFVZZHJ-UHFFFAOYSA-N
Compound name
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 136.7
[M+Na]+ 202.08386 148.8
[M+NH4]+ 197.12846 145.8
[M+K]+ 218.05780 142.9
[M-H]- 178.08736 140.9
[M+Na-2H]- 200.06931 141.8
[M]+ 179.09409 139.5
[M]- 179.09519 139.5
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.