CID 258290

3-(4-methylpiperazinomethyl)-2-norbornanone

Structural Information

Molecular Formula
C13H22N2O
SMILES
CN1CCN(CC1)CC2C3CCC(C3)C2=O
InChI
InChI=1S/C13H22N2O/c1-14-4-6-15(7-5-14)9-12-10-2-3-11(8-10)13(12)16/h10-12H,2-9H2,1H3
InChIKey
AZDLVOLXVIREKE-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

222.17322 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 155.4
[M+Na]+ 245.16244 160.8
[M-H]- 221.16594 157.8
[M+NH4]+ 240.20704 176.1
[M+K]+ 261.13638 157.8
[M+H-H2O]+ 205.17048 148.2
[M+HCOO]- 267.17142 170.3
[M+CH3COO]- 281.18707 166.1
[M+Na-2H]- 243.14789 154.0
[M]+ 222.17267 150.7
[M]- 222.17377 150.7
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