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 136.6
[M+Na]+ 202.08386 143.6
[M-H]- 178.08736 139.9
[M+NH4]+ 197.12846 155.4
[M+K]+ 218.05780 141.8
[M+H-H2O]+ 162.09190 130.8
[M+HCOO]- 224.09284 156.3
[M+CH3COO]- 238.10849 180.5
[M+Na-2H]- 200.06931 143.9
[M]+ 179.09409 133.5
[M]- 179.09519 133.5
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.