CID 3067664

1-(3,4-dihydro-2h-1-benzopyran-4-yl)-4-methylpiperazine

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

6
Patents

232.15756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 154.9
[M+Na]+ 255.146778 159.7
[M-H]- 231.150284 158.9
[M+NH4]+ 250.191383 169.3
[M+K]+ 271.120718 157.2
[M+H-H2O]+ 215.154820 145.3
[M+HCOO]- 277.155761 168.4
[M+CH3COO]- 291.171411 165.1
[M+Na-2H]- 253.132226 160.0
[M]+ 232.15701142 149.2
[M]- 232.15810858 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