CID 56600231

208925-08-0

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC1(OCC2=C(O1)C=CC(=C2)[C@H](CN)O)C
InChI
InChI=1S/C12H17NO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5,10,14H,6-7,13H2,1-2H3/t10-/m0/s1
InChIKey
XTAAANMPVNIYBF-JTQLQIEISA-N
Compound name
(1R)-2-amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

223.12085 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 149.9
[M+Na]+ 246.11007 161.1
[M+NH4]+ 241.15467 159.2
[M+K]+ 262.08401 154.7
[M-H]- 222.11357 154.6
[M+Na-2H]- 244.09552 154.6
[M]+ 223.12030 152.9
[M]- 223.12140 152.9
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

patents stripe