CID 65421863

2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid dihydrochloride

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CN1CCN(CC1)C2(CCCCC2)CC(=O)O
InChI
InChI=1S/C13H24N2O2/c1-14-7-9-15(10-8-14)13(11-12(16)17)5-3-2-4-6-13/h2-11H2,1H3,(H,16,17)
InChIKey
GMOPMAUHFXASCL-UHFFFAOYSA-N
Compound name
2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 160.2
[M+Na]+ 263.17300 162.3
[M-H]- 239.17650 160.8
[M+NH4]+ 258.21760 175.4
[M+K]+ 279.14694 160.2
[M+H-H2O]+ 223.18104 151.9
[M+HCOO]- 285.18198 171.6
[M+CH3COO]- 299.19763 188.8
[M+Na-2H]- 261.15845 161.3
[M]+ 240.18323 151.7
[M]- 240.18433 151.7
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

No patent data available for this compound.