CID 170913544

Methyl 3,6-dimethylpiperazine-2-carboxylate

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC1CNC(C(N1)C(=O)OC)C
InChI
InChI=1S/C8H16N2O2/c1-5-4-9-6(2)7(10-5)8(11)12-3/h5-7,9-10H,4H2,1-3H3
InChIKey
MXBJAFDRMBXVIY-UHFFFAOYSA-N
Compound name
methyl 3,6-dimethylpiperazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.12119 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.8
[M+Na]+ 195.11041 146.7
[M-H]- 171.11391 138.5
[M+NH4]+ 190.15501 157.2
[M+K]+ 211.08435 144.5
[M+H-H2O]+ 155.11845 134.4
[M+HCOO]- 217.11939 155.3
[M+CH3COO]- 231.13504 175.3
[M+Na-2H]- 193.09586 142.8
[M]+ 172.12064 135.5
[M]- 172.12174 135.5
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.