CID 37862

Mp 25

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CN1CCN(CC1)CCOC(=O)C2C3C2C=CC=CC3
InChI
InChI=1S/C16H24N2O2/c1-17-7-9-18(10-8-17)11-12-20-16(19)15-13-5-3-2-4-6-14(13)15/h2-5,13-15H,6-12H2,1H3
InChIKey
JIFYLDVBMCHSQQ-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 164.6
[M+Na]+ 299.172998 169.5
[M-H]- 275.176504 169.7
[M+NH4]+ 294.217603 173.4
[M+K]+ 315.146938 169.5
[M+H-H2O]+ 259.181040 155.9
[M+HCOO]- 321.181981 179.4
[M+CH3COO]- 335.197631 203.5
[M+Na-2H]- 297.158446 166.6
[M]+ 276.18323142 162.5
[M]- 276.18432858 162.5
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.