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 151.1
[M+Na]+ 266.07876 158.8
[M-H]- 242.08226 159.0
[M+NH4]+ 261.12336 167.7
[M+K]+ 282.05270 157.2
[M+H-H2O]+ 226.08680 144.7
[M+HCOO]- 288.08774 173.0
[M+CH3COO]- 302.10339 164.1
[M+Na-2H]- 264.06421 158.9
[M]+ 243.08899 152.3
[M]- 243.09009 152.3
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.