CID 317413

Pyrocatechol, 4-(2-piperonylaminoethyl)-, hydrochloride

Structural Information

Molecular Formula
C16H17NO4
SMILES
C1OC2=C(O1)C=C(C=C2)CNCCC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H17NO4/c18-13-3-1-11(7-14(13)19)5-6-17-9-12-2-4-15-16(8-12)21-10-20-15/h1-4,7-8,17-19H,5-6,9-10H2
InChIKey
FCXOEWXFVFILOY-UHFFFAOYSA-N
Compound name
4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11575 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 165.6
[M+Na]+ 310.10497 177.8
[M+NH4]+ 305.14957 173.1
[M+K]+ 326.07891 173.8
[M-H]- 286.10847 171.7
[M+Na-2H]- 308.09042 170.3
[M]+ 287.11520 169.0
[M]- 287.11630 169.0
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.