CID 215134

35047-52-0

Structural Information

Molecular Formula
C16H24N2
SMILES
CN1CCN(CC1)C2CCCCC3=CC=CC=C23
InChI
InChI=1S/C16H24N2/c1-17-10-12-18(13-11-17)16-9-5-3-7-14-6-2-4-8-15(14)16/h2,4,6,8,16H,3,5,7,9-13H2,1H3
InChIKey
OSZANGXLRGNTMM-UHFFFAOYSA-N
Compound name
1-methyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.19395 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 158.0
[M+Na]+ 267.18317 160.9
[M-H]- 243.18667 162.2
[M+NH4]+ 262.22777 172.3
[M+K]+ 283.15711 160.2
[M+H-H2O]+ 227.19121 149.1
[M+HCOO]- 289.19215 171.3
[M+CH3COO]- 303.20780 167.1
[M+Na-2H]- 265.16862 161.1
[M]+ 244.19340 148.4
[M]- 244.19450 148.4
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