CID 16227541

923133-50-0

Structural Information

Molecular Formula
C14H13NO3
SMILES
C1OC2=C(O1)C=C(C=C2)NCC3=CC=CC=C3O
InChI
InChI=1S/C14H13NO3/c16-12-4-2-1-3-10(12)8-15-11-5-6-13-14(7-11)18-9-17-13/h1-7,15-16H,8-9H2
InChIKey
QCGXHTPXYBLLOW-UHFFFAOYSA-N
Compound name
2-[(1,3-benzodioxol-5-ylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 152.9
[M+Na]+ 266.07876 166.2
[M+NH4]+ 261.12336 161.7
[M+K]+ 282.05270 161.7
[M-H]- 242.08226 160.0
[M+Na-2H]- 264.06421 159.4
[M]+ 243.08899 156.8
[M]- 243.09009 156.8
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.