CID 3067664

Brn 4460535

Structural Information

Molecular Formula
C14H20N2O
SMILES
CN1CCN(CC1)C2CCOC3=CC=CC=C23
InChI
InChI=1S/C14H20N2O/c1-15-7-9-16(10-8-15)13-6-11-17-14-5-3-2-4-12(13)14/h2-5,13H,6-11H2,1H3
InChIKey
BVBNYNHXIMNVKW-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-4-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.15756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 154.9
[M+Na]+ 255.14678 159.7
[M-H]- 231.15028 158.9
[M+NH4]+ 250.19138 169.3
[M+K]+ 271.12072 157.2
[M+H-H2O]+ 215.15482 145.3
[M+HCOO]- 277.15576 168.4
[M+CH3COO]- 291.17141 165.1
[M+Na-2H]- 253.13223 160.0
[M]+ 232.15701 149.2
[M]- 232.15811 149.2
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

patents stripe