CID 51630029

Schembl27032882

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CN1CCN[C@H](C1)C(=O)O
InChI
InChI=1S/C6H12N2O2/c1-8-3-2-7-5(4-8)6(9)10/h5,7H,2-4H2,1H3,(H,9,10)/t5-/m1/s1
InChIKey
LJMBMKKMKAFQAV-RXMQYKEDSA-N
Compound name
(2R)-4-methylpiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

144.08987 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 131.8
[M+Na]+ 167.07909 137.5
[M-H]- 143.08259 129.4
[M+NH4]+ 162.12369 149.0
[M+K]+ 183.05303 135.8
[M+H-H2O]+ 127.08713 125.4
[M+HCOO]- 189.08807 146.9
[M+CH3COO]- 203.10372 168.7
[M+Na-2H]- 165.06454 135.5
[M]+ 144.08932 125.5
[M]- 144.09042 125.5
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.