CID 3043085

1-methyl-4-((6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)methyl)piperazine dimaleate

Structural Information

Molecular Formula
C17H26N2
SMILES
CN1CCN(CC1)CC2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C17H26N2/c1-18-9-11-19(12-10-18)14-15-7-8-16-5-3-2-4-6-17(16)13-15/h7-8,13H,2-6,9-12,14H2,1H3
InChIKey
JBZOENVIRGCDEG-UHFFFAOYSA-N
Compound name
1-methyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.2096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.21688 165.1
[M+Na]+ 281.19882 175.8
[M+NH4]+ 276.24342 173.5
[M+K]+ 297.17276 168.7
[M-H]- 257.20232 169.0
[M+Na-2H]- 279.18427 171.0
[M]+ 258.20905 167.8
[M]- 258.21015 167.8
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.