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]+ 173.128466 140.8
[M+Na]+ 195.110408 146.7
[M-H]- 171.113914 138.5
[M+NH4]+ 190.155013 157.2
[M+K]+ 211.084348 144.5
[M+H-H2O]+ 155.118450 134.4
[M+HCOO]- 217.119391 155.3
[M+CH3COO]- 231.135041 175.3
[M+Na-2H]- 193.095856 142.8
[M]+ 172.12064142 135.5
[M]- 172.12173858 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.