CID 3068807

83823-47-6

Structural Information

Molecular Formula
C15H22N2O
SMILES
CN1CCN(CC1)CC2CC3=CC=CC=C3OC2
InChI
InChI=1S/C15H22N2O/c1-16-6-8-17(9-7-16)11-13-10-14-4-2-3-5-15(14)18-12-13/h2-5,13H,6-12H2,1H3
InChIKey
DQXKBUZNQGIECO-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 159.5
[M+Na]+ 269.16244 163.8
[M-H]- 245.16594 163.2
[M+NH4]+ 264.20704 173.2
[M+K]+ 285.13638 161.0
[M+H-H2O]+ 229.17048 149.7
[M+HCOO]- 291.17142 172.6
[M+CH3COO]- 305.18707 169.2
[M+Na-2H]- 267.14789 164.0
[M]+ 246.17267 154.1
[M]- 246.17377 154.1
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.