CID 61002009

1-(piperazin-1-yl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C11H20N2O2
SMILES
C1CCC(CC1)(C(=O)O)N2CCNCC2
InChI
InChI=1S/C11H20N2O2/c14-10(15)11(4-2-1-3-5-11)13-8-6-12-7-9-13/h12H,1-9H2,(H,14,15)
InChIKey
ALNXTOAZJAOJTG-UHFFFAOYSA-N
Compound name
1-piperazin-1-ylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.15248 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 152.6
[M+Na]+ 235.14170 154.3
[M-H]- 211.14520 151.8
[M+NH4]+ 230.18630 168.0
[M+K]+ 251.11564 151.7
[M+H-H2O]+ 195.14974 144.7
[M+HCOO]- 257.15068 163.2
[M+CH3COO]- 271.16633 179.2
[M+Na-2H]- 233.12715 155.0
[M]+ 212.15193 141.2
[M]- 212.15303 141.2
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