CID 63742494

1432677-92-3

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CN(CCN1)CC2=CC3=C(COC3)C=C2
InChI
InChI=1S/C13H18N2O/c1-2-12-9-16-10-13(12)7-11(1)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8-10H2
InChIKey
ZUPUBSWWSHXLNU-UHFFFAOYSA-N
Compound name
1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 149.7
[M+Na]+ 241.13112 154.6
[M-H]- 217.13462 152.5
[M+NH4]+ 236.17572 165.7
[M+K]+ 257.10506 151.4
[M+H-H2O]+ 201.13916 141.3
[M+HCOO]- 263.14010 164.4
[M+CH3COO]- 277.15575 160.1
[M+Na-2H]- 239.11657 153.8
[M]+ 218.14135 143.7
[M]- 218.14245 143.7
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.