CID 2770892

258853-83-7

Structural Information

Molecular Formula
C10H13NO4
SMILES
C1OC2=C(O1)C=C(C=C2)OCC(CN)O
InChI
InChI=1S/C10H13NO4/c11-4-7(12)5-13-8-1-2-9-10(3-8)15-6-14-9/h1-3,7,12H,4-6,11H2
InChIKey
MBLWJNKJEZAIHU-UHFFFAOYSA-N
Compound name
1-amino-3-(1,3-benzodioxol-5-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7
Patents

211.08446 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 143.9
[M+Na]+ 234.073678 150.4
[M-H]- 210.077184 147.8
[M+NH4]+ 229.118283 161.5
[M+K]+ 250.047618 150.9
[M+H-H2O]+ 194.081720 138.3
[M+HCOO]- 256.082661 164.1
[M+CH3COO]- 270.098311 184.3
[M+Na-2H]- 232.059126 150.1
[M]+ 211.08391142 145.5
[M]- 211.08500858 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe